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

Systemtic Name: 3-[4-(3-nitrophenyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(3-nitrophenyl)piperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-(3-nitrophenyl)-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-(3-nitrophenyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(3-nitrophenyl)piperazine-1-carbonyl]benzoic acid Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5/c22-17(13-3-1-4-14(11-13)18(23)24)20-9-7-19(8-10-20)15-5-2-6-16(12-15)21(25)26/h1-6,11-12H,7-10H2,(H,23,24)