methyl 5-cyano-1-oxidanylidene-2-prop-2-ynyl-isoquinoline-3-carboxylate

Systemtic Name: methyl 5-cyano-1-oxidanylidene-2-prop-2-ynyl-isoquinoline-3-carboxylate Openeye Name: methyl 5-cyano-1-oxo-2-prop-2-ynyl-isoquinoline-3-carboxylate CAS Name: 5-cyano-1-oxo-2-prop-2-ynyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-1-oxo-2-prop-2-ynylisoquinoline-3-carboxylate Traditional Name: 5-cyano-1-keto-2-propargyl-isoquinoline-3-carboxylic acid methyl ester Formula: C15H10N2O3 MolecularWeight: 266.2515

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC=C2C(=O)N1CC#C)C#N

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC=C2C(=O)N1CC#C)C#N

InChI

InChI=1S/C15H10N2O3/c1-3-7-17-13(15(19)20-2)8-12-10(9-16)5-4-6-11(12)14(17)18/h1,4-6,8H,7H2,2H3