methyl 2-acetamido-3-oxidanylidene-1,4-dihydroisoquinoline-1-carboxylate

Systemtic Name: methyl 2-acetamido-3-oxidanylidene-1,4-dihydroisoquinoline-1-carboxylate Openeye Name: methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate CAS Name: 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylic acid methyl ester IUPAC Name: methyl 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxylate Traditional Name: 2-acetamido-3-keto-1,4-dihydroisoquinoline-1-carboxylic acid methyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN1C(C2=CC=CC=C2CC1=O)C(=O)OC

Isomeric SMILES

CC(=O)NN1C(C2=CC=CC=C2CC1=O)C(=O)OC

InChI

InChI=1S/C13H14N2O4/c1-8(16)14-15-11(17)7-9-5-3-4-6-10(9)12(15)13(18)19-2/h3-6,12H,7H2,1-2H3,(H,14,16)