2-cyclopropyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]quinoline-4-carboxamide

Systemtic Name: 2-cyclopropyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]quinoline-4-carboxamide Openeye Name: 2-cyclopropyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]quinoline-4-carboxamide CAS Name: 2-cyclopropyl-N-[(2-hydroxy-5-nitrophenyl)methyl]-4-quinolinecarboxamide IUPAC Name: 2-cyclopropyl-N-[(2-hydroxy-5-nitrophenyl)methyl]quinoline-4-carboxamide Traditional Name: 2-cyclopropyl-N-(2-hydroxy-5-nitro-benzyl)cinchoninamide Formula: C20H17N3O4 MolecularWeight: 363.36668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C20H17N3O4/c24-19-8-7-14(23(26)27)9-13(19)11-21-20(25)16-10-18(12-5-6-12)22-17-4-2-1-3-15(16)17/h1-4,7-10,12,24H,5-6,11H2,(H,21,25)