(Q27182591)

MLS000389606 (English)

10 October 2016

chemical formula

C₁₇H₁₉N₃O₄

1 reference

MLS000389606 (English)

10 October 2016

canonical SMILES

CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CC=C)C)[N+](=O)[O-]

1 reference

MLS000389606 (English)

InChI=1S/C17H19N3O4/c1-5-8-19-12(3)9-14(13(19)4)15(21)10-24-16-7-6-11(2)18-17(16)20(22)23/h5-7,9H,1,8,10H2,2-4H3

10 October 2016

Identifiers

InChI

1 reference

MLS000389606 (English)

UIQMPVFCYITWMX-UHFFFAOYSA-N

10 October 2016

InChIKey

2 references

MLS000389606 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-(1-Allyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone (English)

10 October 2016

2 references

MLS000389606 (English)

matched by identifier from

10 October 2016

InChIKey

UIQMPVFCYITWMX-UHFFFAOYSA-N

ChEBI ID

104923

mapping relation type

2 references

1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone (English)

matched by identifier from

10 October 2016

International Chemical Identifier

InChI

InChI=1S/C17H19N3O4/c1-5-8-19-12(3)9-14(13(19)4)15(21)10-24-16-7-6-11(2)18-17(16)20(22)23/h5-7,9H,1,8,10H2,2-4H3

1 reference