diethyl (5-oxidanylidene-4-prop-2-enyl-3H-1,4-benzodiazepin-2-yl) phosphate

Systemtic Name: diethyl (5-oxidanylidene-4-prop-2-enyl-3H-1,4-benzodiazepin-2-yl) phosphate Openeye Name: (4-allyl-5-oxo-3H-1,4-benzodiazepin-2-yl) diethyl phosphate CAS Name: phosphoric acid diethyl (5-oxo-4-prop-2-enyl-3H-1,4-benzodiazepin-2-yl) ester IUPAC Name: diethyl (5-oxo-4-prop-2-enyl-3H-1,4-benzodiazepin-2-yl) phosphate Traditional Name: phosphoric acid (4-allyl-5-keto-3H-1,4-benzodiazepin-2-yl) diethyl ester Formula: C16H21N2O5P MolecularWeight: 352.322101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N2O5P/c1-4-11-18-12-15(23-24(20,21-5-2)22-6-3)17-14-10-8-7-9-13(14)16(18)19/h4,7-10H,1,5-6,11-12H2,2-3H3