4-(2-chloranyl-5-nitro-phenyl)carbonyl-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(2-chloranyl-5-nitro-phenyl)carbonyl-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(2-chloro-5-nitro-benzoyl)-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(2-chloro-5-nitrophenyl)-oxomethyl]-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(2-chloro-5-nitrobenzoyl)-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(2-chloro-5-nitro-benzoyl)-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C21H16ClN3O4S MolecularWeight: 441.88744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CS3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CS3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H16ClN3O4S/c1-12-4-7-17-15(9-12)20(18-3-2-8-30-18)24(11-19(26)23-17)21(27)14-10-13(25(28)29)5-6-16(14)22/h2-10,20H,11H2,1H3,(H,23,26)