methyl 2-[(2S)-4-methyl-7-oxidanyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-4-methyl-7-oxidanyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-7-hydroxy-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[(2S)-7-hydroxy-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-7-hydroxy-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[(2S)-7-hydroxy-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid methyl ester Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)O)NC(C1=O)CC(=O)OC

Isomeric SMILES

CN1CC2=C(C=CC(=C2)O)N[C@H](C1=O)CC(=O)OC

InChI

InChI=1S/C13H16N2O4/c1-15-7-8-5-9(16)3-4-10(8)14-11(13(15)18)6-12(17)19-2/h3-5,11,14,16H,6-7H2,1-2H3/t11-/m0/s1