methyl 3-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethoxy]-2-cyano-benzoate

Systemtic Name: methyl 3-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethoxy]-2-cyano-benzoate Openeye Name: methyl 3-[2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethoxy]-2-cyano-benzoate CAS Name: 3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-2-cyanobenzoic acid methyl ester IUPAC Name: methyl 3-[2-[(5-chloropyridin-2-yl)amino]-2-oxoethoxy]-2-cyanobenzoate Traditional Name: 3-[2-[(5-chloro-2-pyridyl)amino]-2-keto-ethoxy]-2-cyano-benzoic acid methyl ester Formula: C16H12ClN3O4 MolecularWeight: 345.73718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)OCC(=O)NC2=NC=C(C=C2)Cl)C#N

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)OCC(=O)NC2=NC=C(C=C2)Cl)C#N

InChI

InChI=1S/C16H12ClN3O4/c1-23-16(22)11-3-2-4-13(12(11)7-18)24-9-15(21)20-14-6-5-10(17)8-19-14/h2-6,8H,9H2,1H3,(H,19,20,21)