methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-5-chloranyl-2-methyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate

Systemtic Name: methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-5-chloranyl-2-methyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: methyl 4-(2-amino-2-oxo-ethyl)-5-chloro-2-methyl-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 4-(2-amino-2-oxoethyl)-5-chloro-2-methyl-1,3-dioxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-amino-2-oxoethyl)-5-chloro-2-methyl-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 4-(2-amino-2-keto-ethyl)-5-chloro-1,3-diketo-2-methyl-isoquinoline-4-carboxylic acid methyl ester Formula: C14H13ClN2O5 MolecularWeight: 324.71642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C(=CC=C2)Cl)C(C1=O)(CC(=O)N)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=C(C(=CC=C2)Cl)C(C1=O)(CC(=O)N)C(=O)OC

InChI

InChI=1S/C14H13ClN2O5/c1-17-11(19)7-4-3-5-8(15)10(7)14(12(17)20,6-9(16)18)13(21)22-2/h3-5H,6H2,1-2H3,(H2,16,18)