3-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 3-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-[[5-nitro-2-(1-piperidyl)benzoyl]amino]benzoic acid CAS Name: 3-[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 3-[(5-nitro-2-piperidino-benzoyl)amino]benzoic acid Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5/c23-18(20-14-6-4-5-13(11-14)19(24)25)16-12-15(22(26)27)7-8-17(16)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10H2,(H,20,23)(H,24,25)