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

Systemtic Name: 2-methyl-3-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoic acid Openeye Name: 2-methyl-3-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]benzoic acid CAS Name: 2-methyl-3-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 2-methyl-3-[(5-nitro-2-pyrrolidino-benzoyl)amino]benzoic acid Formula: C19H19N3O5 MolecularWeight: 369.37126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C(=O)O

InChI

InChI=1S/C19H19N3O5/c1-12-14(19(24)25)5-4-6-16(12)20-18(23)15-11-13(22(26)27)7-8-17(15)21-9-2-3-10-21/h4-8,11H,2-3,9-10H2,1H3,(H,20,23)(H,24,25)