[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H26N2O5/c1-16-4-3-11-25(14-16)21-10-9-20(13-22(21)26(29)30)24(28)31-15-23(27)19-8-7-17-5-2-6-18(17)12-19/h7-10,12-13,16H,2-6,11,14-15H2,1H3/t16-/m0/s1