[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-indolin-1-yl-2-oxo-ethyl) 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (2-indolin-1-yl-2-keto-ethyl) ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O5/c1-16-5-4-11-24(14-16)20-9-8-18(13-21(20)26(29)30)23(28)31-15-22(27)25-12-10-17-6-2-3-7-19(17)25/h2-3,6-9,13,16H,4-5,10-12,14-15H2,1H3