2-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]carbonylbenzoic acid Openeye Name: 2-[4-(3-nitrobenzoyl)piperazine-1-carbonyl]benzoic acid CAS Name: 2-[[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-(3-nitrobenzoyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 2-[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)[N+](=O)[O-])C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3C(=O)O

InChI

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