methyl 2-[(6-chloranylpyridin-3-yl)carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(6-chloranylpyridin-3-yl)carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(6-chloropyridine-3-carbonyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(6-chloro-3-pyridinyl)-oxomethoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(6-chloropyridine-3-carbonyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(6-chloronicotinoyl)oxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H12ClN3O5 MolecularWeight: 373.74728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C17H12ClN3O5/c1-25-16(23)9-2-4-11-12(6-9)20-14(21-15(11)22)8-26-17(24)10-3-5-13(18)19-7-10/h2-7H,8H2,1H3,(H,20,21,22)