2-[2-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]benzoic acid

Systemtic Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]benzoic acid Openeye Name: 2-[2-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]benzoic acid CAS Name: 2-[2-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[2-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]benzoic acid Traditional Name: 2-[2-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]benzoic acid Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C24H21N3O5/c28-23(21-7-3-1-5-19(21)20-6-2-4-8-22(20)24(29)30)26-15-13-25(14-16-26)17-9-11-18(12-10-17)27(31)32/h1-12H,13-16H2,(H,29,30)