diethyl [4-(4-methoxyphenyl)-5-oxidanylidene-3H-1,4-benzodiazepin-2-yl] phosphate

Systemtic Name: diethyl [4-(4-methoxyphenyl)-5-oxidanylidene-3H-1,4-benzodiazepin-2-yl] phosphate Openeye Name: diethyl [4-(4-methoxyphenyl)-5-oxo-3H-1,4-benzodiazepin-2-yl] phosphate CAS Name: phosphoric acid diethyl [4-(4-methoxyphenyl)-5-oxo-3H-1,4-benzodiazepin-2-yl] ester IUPAC Name: diethyl [4-(4-methoxyphenyl)-5-oxo-3H-1,4-benzodiazepin-2-yl] phosphate Traditional Name: phosphoric acid diethyl [5-keto-4-(4-methoxyphenyl)-3H-1,4-benzodiazepin-2-yl] ester Formula: C20H23N2O6P MolecularWeight: 418.380181

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC1=NC2=CC=CC=C2C(=O)N(C1)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOP(=O)(OCC)OC1=NC2=CC=CC=C2C(=O)N(C1)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23N2O6P/c1-4-26-29(24,27-5-2)28-19-14-22(15-10-12-16(25-3)13-11-15)20(23)17-8-6-7-9-18(17)21-19/h6-13H,4-5,14H2,1-3H3