methyl 2-[(2-chloranylpyridin-3-yl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[(2-chloranylpyridin-3-yl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(2-chloropyridine-3-carbonyl)amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloropyridine-3-carbonyl)amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[(2-chloronicotinoyl)amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C17H12ClN3O4 MolecularWeight: 357.74788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C17H12ClN3O4/c1-25-17(24)13-9-21(16(23)11-6-3-2-5-10(11)13)20-15(22)12-7-4-8-19-14(12)18/h2-9H,1H3,(H,20,22)