methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-2-[(4-bromophenyl)methyl]-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate

Systemtic Name: methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-2-[(4-bromophenyl)methyl]-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: methyl 4-(2-amino-2-oxo-ethyl)-2-[(4-bromophenyl)methyl]-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 4-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)methyl]-1,3-dioxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)methyl]-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 4-(2-amino-2-keto-ethyl)-2-(4-bromobenzyl)-1,3-diketo-isoquinoline-4-carboxylic acid methyl ester Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=C(C=C3)Br)CC(=O)N

Isomeric SMILES

COC(=O)C1(C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=C(C=C3)Br)CC(=O)N

InChI

InChI=1S/C20H17BrN2O5/c1-28-19(27)20(10-16(22)24)15-5-3-2-4-14(15)17(25)23(18(20)26)11-12-6-8-13(21)9-7-12/h2-9H,10-11H2,1H3,(H2,22,24)