(E)-N-butyl-2-cyano-3-[4-[methyl(phenyl)amino]-3-nitro-phenyl]prop-2-enamide

Systemtic Name: (E)-N-butyl-2-cyano-3-[4-[methyl(phenyl)amino]-3-nitro-phenyl]prop-2-enamide Openeye Name: (E)-N-butyl-2-cyano-3-[4-(N-methylanilino)-3-nitro-phenyl]prop-2-enamide CAS Name: (E)-N-butyl-2-cyano-3-[4-(N-methylanilino)-3-nitrophenyl]-2-propenamide IUPAC Name: (E)-N-butyl-2-cyano-3-[4-(N-methylanilino)-3-nitrophenyl]prop-2-enamide Traditional Name: (E)-N-butyl-2-cyano-3-[4-(N-methylanilino)-3-nitro-phenyl]acrylamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC(=C(C=C1)N(C)C2=CC=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CC(=C(C=C1)N(C)C2=CC=CC=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H22N4O3/c1-3-4-12-23-21(26)17(15-22)13-16-10-11-19(20(14-16)25(27)28)24(2)18-8-6-5-7-9-18/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,26)/b17-13+