4-[4-(diphenylmethyl)piperazin-1-yl]-3-nitro-benzoic acid

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-3-nitro-benzoic acid Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-3-nitro-benzoic acid CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-3-nitrobenzoic acid IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-3-nitrobenzoic acid Traditional Name: 4-(4-benzhydrylpiperazino)-3-nitro-benzoic acid Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3O4/c28-24(29)20-11-12-21(22(17-20)27(30)31)25-13-15-26(16-14-25)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2,(H,28,29)