[(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [(3E)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [(3E)-2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [(3E)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C=C3C(C4=CC=CC=C4N3C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)/C=C/3\C(C4=CC=CC=C4N3C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H31N3O5/c1-18-11-13-29(14-12-18)23-10-9-19(15-24(23)30(33)34)26(32)35-17-20(31)16-25-27(2,3)21-7-5-6-8-22(21)28(25)4/h5-10,15-16,18H,11-14,17H2,1-4H3/b25-16+