4-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[[3-nitro-4-(1-piperidyl)benzoyl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 2-hydroxy-4-[(3-nitro-4-piperidino-benzoyl)amino]benzoic acid Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6/c23-17-11-13(5-6-14(17)19(25)26)20-18(24)12-4-7-15(16(10-12)22(27)28)21-8-2-1-3-9-21/h4-7,10-11,23H,1-3,8-9H2,(H,20,24)(H,25,26)