ethyl 3-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-(4-benzhydrylpiperazine-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(4-benzhydrylpiperazine-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(4-benzhydrylpiperazine-1-carbonyl)-5-nitro-benzoic acid ethyl ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N3O5/c1-2-35-27(32)23-17-22(18-24(19-23)30(33)34)26(31)29-15-13-28(14-16-29)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17-19,25H,2,13-16H2,1H3