methyl 4-(8-bromanyl-4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-chloranyl-benzoate

Systemtic Name: methyl 4-(8-bromanyl-4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-chloranyl-benzoate Openeye Name: methyl 4-(8-bromo-4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)-3-chloro-benzoate CAS Name: 4-(8-bromo-4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)-3-chlorobenzoic acid methyl ester IUPAC Name: methyl 4-(8-bromo-4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-chlorobenzoate Traditional Name: 4-(8-bromo-4-keto-1H-benzofuro[3,2-d]pyrimidin-2-yl)-3-chloro-benzoic acid methyl ester Formula: C18H10BrClN2O4 MolecularWeight: 433.64

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C2=NC(=O)C3=C(N2)C4=C(O3)C=CC(=C4)Br)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C2=NC(=O)C3=C(N2)C4=C(O3)C=CC(=C4)Br)Cl

InChI

InChI=1S/C18H10BrClN2O4/c1-25-18(24)8-2-4-10(12(20)6-8)16-21-14-11-7-9(19)3-5-13(11)26-15(14)17(23)22-16/h2-7H,1H3,(H,21,22,23)