(2-oxidanylidene-1,2-diphenyl-ethyl) 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid desyl ester Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26N2O5/c1-19-9-8-16-28(18-19)23-15-14-22(17-24(23)29(32)33)27(31)34-26(21-12-6-3-7-13-21)25(30)20-10-4-2-5-11-20/h2-7,10-15,17,19,26H,8-9,16,18H2,1H3