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

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylic acid Openeye Name: 4-(2-amino-2-oxo-ethyl)-2-ethyl-1,3-dioxo-isoquinoline-4-carboxylic acid CAS Name: 4-(2-amino-2-oxoethyl)-2-ethyl-1,3-dioxo-4-isoquinolinecarboxylic acid IUPAC Name: 4-(2-amino-2-oxoethyl)-2-ethyl-1,3-dioxoisoquinoline-4-carboxylic acid Traditional Name: 4-(2-amino-2-keto-ethyl)-2-ethyl-1,3-diketo-isoquinoline-4-carboxylic acid Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(C1=O)(CC(=O)N)C(=O)O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(C1=O)(CC(=O)N)C(=O)O

InChI

InChI=1S/C14H14N2O5/c1-2-16-11(18)8-5-3-4-6-9(8)14(12(16)19,13(20)21)7-10(15)17/h3-6H,2,7H2,1H3,(H2,15,17)(H,20,21)