3-[(4R)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]propanoate

Systemtic Name: 3-[(4R)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]propanoate Openeye Name: 3-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]propanoate CAS Name: 3-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]propanoate IUPAC Name: 3-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]propanoate Traditional Name: 3-[(4R)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]propionate Formula: C13H15N2O3- MolecularWeight: 247.2698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1CCC(=O)[O-]

Isomeric SMILES

C[C@@H]1CC(=O)NC2=CC=CC=C2N1CCC(=O)[O-]

InChI

InChI=1S/C13H16N2O3/c1-9-8-12(16)14-10-4-2-3-5-11(10)15(9)7-6-13(17)18/h2-5,9H,6-8H2,1H3,(H,14,16)(H,17,18)/p-1/t9-/m1/s1