[4-(methylcarbamoyl)phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [4-(methylcarbamoyl)phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [4-(methylcarbamoyl)phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [4-(methylcarbamoyl)phenyl] ester IUPAC Name: [4-(methylcarbamoyl)phenyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [4-(methylcarbamoyl)phenyl] ester Formula: C19H19N3O5 MolecularWeight: 369.37126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

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