methyl 7-bromanyl-6-methoxy-4-[2-(methoxycarbonylamino)-2-oxidanylidene-ethyl]-2-methyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate

Systemtic Name: methyl 7-bromanyl-6-methoxy-4-[2-(methoxycarbonylamino)-2-oxidanylidene-ethyl]-2-methyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: methyl 7-bromo-6-methoxy-4-[2-(methoxycarbonylamino)-2-oxo-ethyl]-2-methyl-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 7-bromo-6-methoxy-4-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methyl-1,3-dioxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 7-bromo-6-methoxy-4-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methyl-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 7-bromo-4-[2-(carbomethoxyamino)-2-keto-ethyl]-1,3-diketo-6-methoxy-2-methyl-isoquinoline-4-carboxylic acid methyl ester Formula: C17H17BrN2O8 MolecularWeight: 457.22948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC(=C(C=C2C(C1=O)(CC(=O)NC(=O)OC)C(=O)OC)OC)Br

Isomeric SMILES

CN1C(=O)C2=CC(=C(C=C2C(C1=O)(CC(=O)NC(=O)OC)C(=O)OC)OC)Br

InChI

InChI=1S/C17H17BrN2O8/c1-20-13(22)8-5-10(18)11(26-2)6-9(8)17(14(20)23,15(24)27-3)7-12(21)19-16(25)28-4/h5-6H,7H2,1-4H3,(H,19,21,25)