[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2-methylindolin-1-yl)-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-keto-2-(2-methylindolin-1-yl)ethyl] ester Formula: C25H29N3O5 MolecularWeight: 451.51486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3C(CC4=CC=CC=C43)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3C(CC4=CC=CC=C43)C)[N+](=O)[O-])C

InChI

InChI=1S/C25H29N3O5/c1-16-10-17(2)14-26(13-16)22-9-8-20(12-23(22)28(31)32)25(30)33-15-24(29)27-18(3)11-19-6-4-5-7-21(19)27/h4-9,12,16-18H,10-11,13-15H2,1-3H3