5-(4-chloranyl-3-nitro-phenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 5-(4-chloranyl-3-nitro-phenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 5-(4-chloro-3-nitro-phenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 5-(4-chloro-3-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 5-(4-chloro-3-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 5-(4-chloro-3-nitro-phenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C15H9ClN4O5 MolecularWeight: 360.70876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9ClN4O5/c16-11-3-1-8(5-13(11)20(24)25)15-10-6-9(19(22)23)2-4-12(10)18-14(21)7-17-15/h1-6H,7H2,(H,18,21)