4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoic acid CAS Name: 4-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-(4-nitrophenyl)piperazino]methyl]benzoic acid Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4/c22-18(23)15-3-1-14(2-4-15)13-19-9-11-20(12-10-19)16-5-7-17(8-6-16)21(24)25/h1-8H,9-13H2,(H,22,23)