(4,7-dinitro-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-5-yl) ethanoate

Systemtic Name: (4,7-dinitro-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-5-yl) ethanoate Openeye Name: (4,7-dinitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-5-yl) acetate CAS Name: acetic acid (4,7-dinitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-5-yl) ester IUPAC Name: (4,7-dinitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-5-yl) acetate Traditional Name: acetic acid (2-keto-4,7-dinitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-5-yl) ester Formula: C17H14N4O7 MolecularWeight: 386.31566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CN1[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1(C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CN1[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O7/c1-11(22)28-17(12-5-3-2-4-6-12)14-9-13(20(24)25)7-8-15(14)18-16(23)10-19(17)21(26)27/h2-9H,10H2,1H3,(H,18,23)