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

Systemtic Name: (E)-3-[4-(dimethylamino)-3-nitro-phenyl]-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enenitrile CAS Name: (E)-3-[4-(dimethylamino)-3-nitrophenyl]-2-[(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[4-(dimethylamino)-3-nitrophenyl]-2-(2,5-dimethyl-1-prop-2-enylpyrrole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-[4-(dimethylamino)-3-nitro-phenyl]acrylonitrile Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-6-9-24-14(2)10-18(15(24)3)21(26)17(13-22)11-16-7-8-19(23(4)5)20(12-16)25(27)28/h6-8,10-12H,1,9H2,2-5H3/b17-11+