methyl 4-[4-cyano-2,3-dimethyl-5-[(E)-(2-nitrophenyl)methylideneamino]pyrrol-1-yl]butanoate

Systemtic Name: methyl 4-[4-cyano-2,3-dimethyl-5-[(E)-(2-nitrophenyl)methylideneamino]pyrrol-1-yl]butanoate Openeye Name: methyl 4-[4-cyano-2,3-dimethyl-5-[(E)-(2-nitrophenyl)methyleneamino]pyrrol-1-yl]butanoate CAS Name: 4-[4-cyano-2,3-dimethyl-5-[(E)-(2-nitrophenyl)methylideneamino]-1-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-cyano-2,3-dimethyl-5-[(E)-(2-nitrophenyl)methylideneamino]pyrrol-1-yl]butanoate Traditional Name: 4-[4-cyano-2,3-dimethyl-5-[(E)-(2-nitrobenzylidene)amino]pyrrol-1-yl]butyric acid methyl ester Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)N=CC2=CC=CC=C2[N+](=O)[O-])CCCC(=O)OC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)/N=C/C2=CC=CC=C2[N+](=O)[O-])CCCC(=O)OC)C

InChI

InChI=1S/C19H20N4O4/c1-13-14(2)22(10-6-9-18(24)27-3)19(16(13)11-20)21-12-15-7-4-5-8-17(15)23(25)26/h4-5,7-8,12H,6,9-10H2,1-3H3/b21-12+