[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C=CC2=C(N(C(=C2)C)C3CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)/C=C/C2=C(N(C(=C2)C)C3CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-13-4-5-17(11-19(13)23(26)27)20(24)12-28-21(25)9-6-16-10-14(2)22(15(16)3)18-7-8-18/h4-6,9-11,18H,7-8,12H2,1-3H3/b9-6+