3-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 3-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(3-nitrobenzoyl)piperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-(3-nitrobenzoyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(3-nitrobenzoyl)piperazine-1-carbonyl]benzoic acid Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)C(=O)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)C(=O)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6/c23-17(13-3-1-5-15(11-13)19(25)26)20-7-9-21(10-8-20)18(24)14-4-2-6-16(12-14)22(27)28/h1-6,11-12H,7-10H2,(H,25,26)