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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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