5-(2-chlorophenyl)-7-nitro-N-(nitrosomethyl)-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 5-(2-chlorophenyl)-7-nitro-N-(nitrosomethyl)-3H-1,4-benzodiazepin-2-amine Openeye Name: 5-(2-chlorophenyl)-7-nitro-N-(nitrosomethyl)-3H-1,4-benzodiazepin-2-amine CAS Name: 5-(2-chlorophenyl)-7-nitro-N-(nitrosomethyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 5-(2-chlorophenyl)-7-nitro-N-(nitrosomethyl)-3H-1,4-benzodiazepin-2-amine Traditional Name: [5-(2-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]-(nitrosomethyl)amine Formula: C16H12ClN5O3 MolecularWeight: 357.75118

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl)NCN=O

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl)NCN=O

InChI

InChI=1S/C16H12ClN5O3/c17-13-4-2-1-3-11(13)16-12-7-10(22(24)25)5-6-14(12)21-15(8-18-16)19-9-20-23/h1-7H,8-9H2,(H,19,21)