(Q82908847)

English

[6-Amino-1-(4-chlorobenzoyl)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate

group of stereoisomers with the chemical formula C₂₂H₂₁ClN₄O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

472.114962072 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₁ClN₄O₆

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based on heuristic

inferred from SMILES

canonical SMILES

COC12C(COC(=N)O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1C2N1C(=O)c1ccc(Cl)cc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CO[C@]12C3C(CN1C1=C(C(=O)C(N)=C(C)C1=O)[C@H]2COC(N)=O)N3C(=O)c1ccc(Cl)cc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C22H21ClN4O6/c1-9-15(24)18(29)14-12(8-33-21(25)31)22(32-2)19-13(7-26(22)16(14)17(9)28)27(19)20(30)10-3-5-11(23)6-4-10/h3-6,12-13,19H,7-8,24H2,1-2H3,(H2,25,31)/t12-,13?,19?,22-,27?/m1/s1

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InChIKey

IEODXZXRDPARKL-BGYQIFAQSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID501361727

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(Q82908847)

[6-Amino-1-(4-chlorobenzoyl)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate

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