4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-2-oxidanyl-benzoate

Systemtic Name: 4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 2-hydroxy-4-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoate IUPAC Name: 2-hydroxy-4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 2-hydroxy-4-[(3-nitro-4-pyrrolidino-benzoyl)amino]benzoate Formula: C18H16N3O6- MolecularWeight: 370.33614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6/c22-16-10-12(4-5-13(16)18(24)25)19-17(23)11-3-6-14(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)/p-1