5-(2-methylphenyl)-7-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

Systemtic Name: 5-(2-methylphenyl)-7-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine Openeye Name: 7-nitro-5-(o-tolyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine CAS Name: 5-(2-methylphenyl)-7-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine IUPAC Name: 5-(2-methylphenyl)-7-nitro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine Traditional Name: 7-nitro-5-(o-tolyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine Formula: C16H17N3O2 MolecularWeight: 283.32508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=C(C=CC(=C3)[N+](=O)[O-])NCCN2

Isomeric SMILES

CC1=CC=CC=C1C2C3=C(C=CC(=C3)[N+](=O)[O-])NCCN2

InChI

InChI=1S/C16H17N3O2/c1-11-4-2-3-5-13(11)16-14-10-12(19(20)21)6-7-15(14)17-8-9-18-16/h2-7,10,16-18H,8-9H2,1H3