4-[4-(2-chlorophenyl)piperazin-1-yl]-3-nitro-benzoic acid

Systemtic Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]-3-nitro-benzoic acid Openeye Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]-3-nitro-benzoic acid CAS Name: 4-[4-(2-chlorophenyl)-1-piperazinyl]-3-nitrobenzoic acid IUPAC Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid Traditional Name: 4-[4-(2-chlorophenyl)piperazino]-3-nitro-benzoic acid Formula: C17H16ClN3O4 MolecularWeight: 361.77964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

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