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

Systemtic Name: methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-7-bromanyl-6-methoxy-2-methyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: methyl 4-(2-amino-2-oxo-ethyl)-7-bromo-6-methoxy-2-methyl-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 4-(2-amino-2-oxoethyl)-7-bromo-6-methoxy-2-methyl-1,3-dioxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-amino-2-oxoethyl)-7-bromo-6-methoxy-2-methyl-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 4-(2-amino-2-keto-ethyl)-7-bromo-1,3-diketo-6-methoxy-2-methyl-isoquinoline-4-carboxylic acid methyl ester Formula: C15H15BrN2O6 MolecularWeight: 399.1934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN2O6/c1-18-12(20)7-4-9(16)10(23-2)5-8(7)15(13(18)21,6-11(17)19)14(22)24-3/h4-5H,6H2,1-3H3,(H2,17,19)