methyl 3-[[7-chloranyl-3-oxidanyl-2,4-bis(oxidanylidene)-1H-quinazolin-6-yl]carbamoyl]benzoate

Systemtic Name: methyl 3-[[7-chloranyl-3-oxidanyl-2,4-bis(oxidanylidene)-1H-quinazolin-6-yl]carbamoyl]benzoate Openeye Name: methyl 3-[(7-chloro-3-hydroxy-2,4-dioxo-1H-quinazolin-6-yl)carbamoyl]benzoate CAS Name: 3-[[(7-chloro-3-hydroxy-2,4-dioxo-1H-quinazolin-6-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(7-chloro-3-hydroxy-2,4-dioxo-1H-quinazolin-6-yl)carbamoyl]benzoate Traditional Name: 3-[(7-chloro-3-hydroxy-2,4-diketo-1H-quinazolin-6-yl)carbamoyl]benzoic acid methyl ester Formula: C17H12ClN3O6 MolecularWeight: 389.74668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C3C(=C2)C(=O)N(C(=O)N3)O)Cl

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=C3C(=C2)C(=O)N(C(=O)N3)O)Cl

InChI

InChI=1S/C17H12ClN3O6/c1-27-16(24)9-4-2-3-8(5-9)14(22)19-13-6-10-12(7-11(13)18)20-17(25)21(26)15(10)23/h2-7,26H,1H3,(H,19,22)(H,20,25)