N-(2-methyl-3-nitro-phenyl)-2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide CAS Name: N-(2-methyl-3-nitrophenyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Traditional Name: 2,4-diketo-N-(2-methyl-3-nitro-phenyl)-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Formula: C16H14N4O6S MolecularWeight: 390.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3

InChI

InChI=1S/C16H14N4O6S/c1-9-11(3-2-4-14(9)20(23)24)19-27(25,26)10-5-6-12-13(7-10)18-16(22)8-15(21)17-12/h2-7,19H,8H2,1H3,(H,17,21)(H,18,22)