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

Systemtic Name: 5-(4-methoxy-3-nitro-phenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 5-(4-methoxy-3-nitro-phenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 5-(4-methoxy-3-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 5-(4-methoxy-3-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 5-(4-methoxy-3-nitro-phenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C16H12N4O6 MolecularWeight: 356.28968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NCC(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NCC(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O6/c1-26-14-5-2-9(6-13(14)20(24)25)16-11-7-10(19(22)23)3-4-12(11)18-15(21)8-17-16/h2-7H,8H2,1H3,(H,18,21)