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

CAS: 478246-62-7

Formula: C17H15Cl2N3O4

SMILES: OC(=O)C1=CC(=C(C=C1)N1CCN(CC1)C1=CC(Cl)=C(Cl)C=C1)[N+]([O-])=O

IUPAC: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-nitrobenzoic acid

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)

Composition: C (51.53%), H (3.82%), Cl (17.89%), N (10.61%), O (16.15%)

Molar Mass: 396.22

Atom Count: 41

Heavy Atom Count: 26