diethyl 2-(4-methyl-2-oxidanylidene-3H-1,5-benzodiazepin-1-yl)-3-(trimethoxy-$l^{5}-phosphanylidene)butanedioate

Systemtic Name: diethyl 2-(4-methyl-2-oxidanylidene-3H-1,5-benzodiazepin-1-yl)-3-(trimethoxy-$l^{5}-phosphanylidene)butanedioate Openeye Name: diethyl 2-(4-methyl-2-oxo-3H-1,5-benzodiazepin-1-yl)-3-(trimethoxy-$l^{5}-phosphanylidene)butanedioate CAS Name: 2-(4-methyl-2-oxo-3H-1,5-benzodiazepin-1-yl)-3-trimethoxyphosphoranylidenebutanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-methyl-2-oxo-3H-1,5-benzodiazepin-1-yl)-3-(trimethoxy-$l^{5}-phosphanylidene)butanedioate Traditional Name: 2-(2-keto-4-methyl-3H-1,5-benzodiazepin-1-yl)-3-trimethoxyphosphoranylidene-succinic acid diethyl ester Formula: C21H29N2O8P MolecularWeight: 468.437321

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=P(OC)(OC)OC)C(=O)OCC)N1C(=O)CC(=NC2=CC=CC=C21)C

Isomeric SMILES

CCOC(=O)C(C(=P(OC)(OC)OC)C(=O)OCC)N1C(=O)CC(=NC2=CC=CC=C21)C

InChI

InChI=1S/C21H29N2O8P/c1-7-30-20(25)18(19(21(26)31-8-2)32(27-4,28-5)29-6)23-16-12-10-9-11-15(16)22-14(3)13-17(23)24/h9-12,18H,7-8,13H2,1-6H3