methyl 2-[[4-(4-chlorophenyl)-4-oxidanylidene-butanoyl]oxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[4-(4-chlorophenyl)-4-oxidanylidene-butanoyl]oxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(4-chlorophenyl)-4-oxo-butanoyl]oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-(4-chlorophenyl)-1,4-dioxobutoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-chlorophenyl)-4-oxobutanoyl]oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[4-(4-chlorophenyl)-4-keto-butanoyl]oxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H17ClN2O6 MolecularWeight: 428.82248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O6/c1-29-21(28)13-4-7-15-16(10-13)23-18(24-20(15)27)11-30-19(26)9-8-17(25)12-2-5-14(22)6-3-12/h2-7,10H,8-9,11H2,1H3,(H,23,24,27)