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

Systemtic Name: methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-6-chloranyl-7-methoxy-2-methyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: methyl 4-(2-amino-2-oxo-ethyl)-6-chloro-7-methoxy-2-methyl-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 4-(2-amino-2-oxoethyl)-6-chloro-7-methoxy-2-methyl-1,3-dioxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-amino-2-oxoethyl)-6-chloro-7-methoxy-2-methyl-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 4-(2-amino-2-keto-ethyl)-6-chloro-1,3-diketo-7-methoxy-2-methyl-isoquinoline-4-carboxylic acid methyl ester Formula: C15H15ClN2O6 MolecularWeight: 354.7424

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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)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O6/c1-18-12(20)7-4-10(23-2)9(16)5-8(7)15(13(18)21,6-11(17)19)14(22)24-3/h4-5H,6H2,1-3H3,(H2,17,19)