2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]prop-2-enamide CAS Name: 2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-3-pyrrolyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)pyrrol-3-yl]prop-2-enamide Traditional Name: N-benzyl-2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]acrylamide Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C)C)C=C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C)C)C=C(C#N)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H22N4O3/c1-16-11-22(28(30)31)9-10-23(16)27-17(2)12-20(18(27)3)13-21(14-25)24(29)26-15-19-7-5-4-6-8-19/h4-13H,15H2,1-3H3,(H,26,29)