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

Systemtic Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-nitro-benzoic acid Openeye Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-nitro-benzoic acid CAS Name: 4-[4-(3,4-dichlorophenyl)-1-piperazinyl]-3-nitrobenzoic acid IUPAC Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid Traditional Name: 4-[4-(3,4-dichlorophenyl)piperazino]-3-nitro-benzoic acid Formula: C17H15Cl2N3O4 MolecularWeight: 396.2247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15Cl2N3O4/c18-13-3-2-12(10-14(13)19)20-5-7-21(8-6-20)15-4-1-11(17(23)24)9-16(15)22(25)26/h1-4,9-10H,5-8H2,(H,23,24)