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

Systemtic Name: methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-6-chloranyl-2-methoxy-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: methyl 4-(2-amino-2-oxo-ethyl)-6-chloro-2-methoxy-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 4-(2-amino-2-oxoethyl)-6-chloro-2-methoxy-1,3-dioxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-amino-2-oxoethyl)-6-chloro-2-methoxy-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 4-(2-amino-2-keto-ethyl)-6-chloro-1,3-diketo-2-methoxy-isoquinoline-4-carboxylic acid methyl ester Formula: C14H13ClN2O6 MolecularWeight: 340.71582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2=C(C=CC(=C2)Cl)C(=O)N(C1=O)OC)CC(=O)N

Isomeric SMILES

COC(=O)C1(C2=C(C=CC(=C2)Cl)C(=O)N(C1=O)OC)CC(=O)N

InChI

InChI=1S/C14H13ClN2O6/c1-22-13(21)14(6-10(16)18)9-5-7(15)3-4-8(9)11(19)17(23-2)12(14)20/h3-5H,6H2,1-2H3,(H2,16,18)