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

Systemtic Name: 4-[[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]methyl]benzoic acid CAS Name: 4-[[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(5-nitro-2-pyrrolidino-benzoyl)amino]methyl]benzoic acid Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H19N3O5/c23-18(20-12-13-3-5-14(6-4-13)19(24)25)16-11-15(22(26)27)7-8-17(16)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2,(H,20,23)(H,24,25)