[2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [2-(6-amino-1-cyclopropyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [2-(6-amino-1-cyclopropyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [2-(6-amino-1-cyclopropyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C18H14ClN3O6 MolecularWeight: 403.77326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)NC2=O)C(=O)COC(=O)C3=CC4=C(O3)C=CC(=C4)Cl)N

Isomeric SMILES

C1CC1N2C(=C(C(=O)NC2=O)C(=O)COC(=O)C3=CC4=C(O3)C=CC(=C4)Cl)N

InChI

InChI=1S/C18H14ClN3O6/c19-9-1-4-12-8(5-9)6-13(28-12)17(25)27-7-11(23)14-15(20)22(10-2-3-10)18(26)21-16(14)24/h1,4-6,10H,2-3,7,20H2,(H,21,24,26)