5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2,4-benzodiazepin-2-ium 2-oxide

Systemtic Name: 5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2,4-benzodiazepin-2-ium 2-oxide Openeye Name: 5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2,4-benzodiazepin-2-ium 2-oxide CAS Name: 5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2,4-benzodiazepin-2-ium 2-oxide IUPAC Name: 5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2,4-benzodiazepin-2-ium 2-oxide Traditional Name: 5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2,4-benzodiazepin-2-ium 2-oxide Formula: C16H13ClN3O3+ MolecularWeight: 330.74572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1N=C(C2=C(C[N+]1=O)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

CC1N=C(C2=C(C[N+]1=O)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C16H13ClN3O3/c1-10-18-16(13-4-2-3-5-15(13)17)14-8-12(20(22)23)7-6-11(14)9-19(10)21/h2-8,10H,9H2,1H3/q+1