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

Systemtic Name: 3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]benzoic acid CAS Name: 3-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 3-[(3-nitro-4-pyrrolidino-benzoyl)amino]benzoic acid Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5/c22-17(19-14-5-3-4-13(10-14)18(23)24)12-6-7-15(16(11-12)21(25)26)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,19,22)(H,23,24)