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

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-bis(oxidanylidene)-2-propyl-isoquinoline-4-carboxylic acid Openeye Name: 4-(2-amino-2-oxo-ethyl)-1,3-dioxo-2-propyl-isoquinoline-4-carboxylic acid CAS Name: 4-(2-amino-2-oxoethyl)-1,3-dioxo-2-propyl-4-isoquinolinecarboxylic acid IUPAC Name: 4-(2-amino-2-oxoethyl)-1,3-dioxo-2-propylisoquinoline-4-carboxylic acid Traditional Name: 4-(2-amino-2-keto-ethyl)-1,3-diketo-2-propyl-isoquinoline-4-carboxylic acid Formula: C15H16N2O5 MolecularWeight: 304.29794

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(C1=O)(CC(=O)N)C(=O)O

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(C1=O)(CC(=O)N)C(=O)O

InChI

InChI=1S/C15H16N2O5/c1-2-7-17-12(19)9-5-3-4-6-10(9)15(13(17)20,14(21)22)8-11(16)18/h3-6H,2,7-8H2,1H3,(H2,16,18)(H,21,22)