methyl 2-[(3S)-2-oxidanylidene-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl]ethanoate

Systemtic Name: methyl 2-[(3S)-2-oxidanylidene-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl]ethanoate Openeye Name: methyl 2-[(3S)-2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl]acetate CAS Name: 2-[(3S)-2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S)-2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl]acetate Traditional Name: 2-[(3S)-2-keto-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl]acetic acid methyl ester Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NC2=CC=CC=C2CN1

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NC2=CC=CC=C2CN1

InChI

InChI=1S/C12H14N2O3/c1-17-11(15)6-10-12(16)14-9-5-3-2-4-8(9)7-13-10/h2-5,10,13H,6-7H2,1H3,(H,14,16)/t10-/m0/s1