(E)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-oxomethyl]-3-(4-hydroxy-3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(2,5-dimethyl-1-prop-2-enylpyrrole-3-carbonyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(4-hydroxy-3-nitro-phenyl)acrylonitrile Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)/C(=C/C2=CC(=C(C=C2)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C19H17N3O4/c1-4-7-21-12(2)8-16(13(21)3)19(24)15(11-20)9-14-5-6-18(23)17(10-14)22(25)26/h4-6,8-10,23H,1,7H2,2-3H3/b15-9+