methyl 2-[6,8-dimethyl-4-oxidanylidene-3-(oxidanylideneboranylmethylideneamino)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]ethanoate

Systemtic Name: methyl 2-[6,8-dimethyl-4-oxidanylidene-3-(oxidanylideneboranylmethylideneamino)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: methyl 2-[6,8-dimethyl-4-oxo-3-(oxoboranylmethyleneamino)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[6,8-dimethyl-4-oxo-3-(oxoboranylmethylideneamino)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6,8-dimethyl-4-oxo-3-(oxoboranylmethylideneamino)-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[4-keto-3-(ketoboranylmethyleneamino)-6,8-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]acetic acid methyl ester Formula: C15H17BN3O4- MolecularWeight: 314.12418

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)[C-]=NC1CNC2=CC(=CC(=C2N(C1=O)CC(=O)OC)C)C

Isomeric SMILES

B(=O)[C-]=NC1CNC2=CC(=CC(=C2N(C1=O)CC(=O)OC)C)C

InChI

InChI=1S/C15H17BN3O4/c1-9-4-10(2)14-11(5-9)17-6-12(18-8-16-22)15(21)19(14)7-13(20)23-3/h4-5,12,17H,6-7H2,1-3H3/q-1