(2-oxidanylidene-1,2-diphenyl-ethyl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid desyl ester Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C28H28N2O5/c1-19-15-20(2)18-29(17-19)24-14-13-23(16-25(24)30(33)34)28(32)35-27(22-11-7-4-8-12-22)26(31)21-9-5-3-6-10-21/h3-14,16,19-20,27H,15,17-18H2,1-2H3