methyl 3-nitro-4-[4-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]piperazin-4-ium-1-yl]benzoate

Systemtic Name: methyl 3-nitro-4-[4-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]piperazin-4-ium-1-yl]benzoate Openeye Name: methyl 3-nitro-4-[4-[2-oxo-2-(4-phenylphenyl)ethyl]piperazin-4-ium-1-yl]benzoate CAS Name: 3-nitro-4-[4-[2-oxo-2-(4-phenylphenyl)ethyl]-1-piperazin-4-iumyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[4-[2-oxo-2-(4-phenylphenyl)ethyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 4-[4-[2-keto-2-(4-phenylphenyl)ethyl]piperazin-4-ium-1-yl]-3-nitro-benzoic acid methyl ester Formula: C26H26N3O5+ MolecularWeight: 460.50174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O5/c1-34-26(31)22-11-12-23(24(17-22)29(32)33)28-15-13-27(14-16-28)18-25(30)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3/p+1