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

Systemtic Name: methyl 6-bromanyl-4-[2-(methoxycarbonylamino)-2-oxidanylidene-ethyl]-2-methyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: methyl 6-bromo-4-[2-(methoxycarbonylamino)-2-oxo-ethyl]-2-methyl-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 6-bromo-4-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methyl-1,3-dioxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-4-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methyl-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 6-bromo-4-[2-(carbomethoxyamino)-2-keto-ethyl]-1,3-diketo-2-methyl-isoquinoline-4-carboxylic acid methyl ester Formula: C16H15BrN2O7 MolecularWeight: 427.2035

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O7/c1-19-12(21)9-5-4-8(17)6-10(9)16(13(19)22,14(23)25-2)7-11(20)18-15(24)26-3/h4-6H,7H2,1-3H3,(H,18,20,24)