4-(2-azanyl-2-oxidanylidene-ethyl)-7-chloranyl-2-methyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylic acid

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-7-chloranyl-2-methyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylic acid Openeye Name: 4-(2-amino-2-oxo-ethyl)-7-chloro-2-methyl-1,3-dioxo-isoquinoline-4-carboxylic acid CAS Name: 4-(2-amino-2-oxoethyl)-7-chloro-2-methyl-1,3-dioxo-4-isoquinolinecarboxylic acid IUPAC Name: 4-(2-amino-2-oxoethyl)-7-chloro-2-methyl-1,3-dioxoisoquinoline-4-carboxylic acid Traditional Name: 4-(2-amino-2-keto-ethyl)-7-chloro-1,3-diketo-2-methyl-isoquinoline-4-carboxylic acid Formula: C13H11ClN2O5 MolecularWeight: 310.68984

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O5/c1-16-10(18)7-4-6(14)2-3-8(7)13(11(16)19,12(20)21)5-9(15)17/h2-4H,5H2,1H3,(H2,15,17)(H,20,21)