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

Systemtic Name: 4-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoic acid Openeye Name: 4-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]benzoic acid CAS Name: 4-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 4-[(5-nitro-2-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)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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