5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]benzoic acid CAS Name: 2-hydroxy-5-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 2-hydroxy-5-[(3-nitro-4-pyrrolidino-benzoyl)amino]benzoic acid Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6/c22-16-6-4-12(10-13(16)18(24)25)19-17(23)11-3-5-14(15(9-11)21(26)27)20-7-1-2-8-20/h3-6,9-10,22H,1-2,7-8H2,(H,19,23)(H,24,25)