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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-nitro-benzoic acid Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-nitro-benzoic acid CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-3-nitrobenzoic acid IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-3-nitro-benzoic acid Formula: C17H16ClN3O4 MolecularWeight: 361.77964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O4/c18-13-2-1-3-14(11-13)19-6-8-20(9-7-19)15-5-4-12(17(22)23)10-16(15)21(24)25/h1-5,10-11H,6-9H2,(H,22,23)