diethyl (4-methyl-7-nitro-5-oxidanylidene-3H-1,4-benzodiazepin-2-yl) phosphate

Systemtic Name: diethyl (4-methyl-7-nitro-5-oxidanylidene-3H-1,4-benzodiazepin-2-yl) phosphate Openeye Name: diethyl (4-methyl-7-nitro-5-oxo-3H-1,4-benzodiazepin-2-yl) phosphate CAS Name: phosphoric acid diethyl (4-methyl-7-nitro-5-oxo-3H-1,4-benzodiazepin-2-yl) ester IUPAC Name: diethyl (4-methyl-7-nitro-5-oxo-3H-1,4-benzodiazepin-2-yl) phosphate Traditional Name: phosphoric acid diethyl (5-keto-4-methyl-7-nitro-3H-1,4-benzodiazepin-2-yl) ester Formula: C14H18N3O7P MolecularWeight: 371.282381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1)C

Isomeric SMILES

CCOP(=O)(OCC)OC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1)C

InChI

InChI=1S/C14H18N3O7P/c1-4-22-25(21,23-5-2)24-13-9-16(3)14(18)11-8-10(17(19)20)6-7-12(11)15-13/h6-8H,4-5,9H2,1-3H3