5-(3-azanyl-3-oxidanylidene-propyl)-8-oxidanylidene-6,7-dihydroisoquinoline-5-carboxylic acid

Systemtic Name: 5-(3-azanyl-3-oxidanylidene-propyl)-8-oxidanylidene-6,7-dihydroisoquinoline-5-carboxylic acid Openeye Name: 5-(3-amino-3-oxo-propyl)-8-oxo-6,7-dihydroisoquinoline-5-carboxylic acid CAS Name: 5-(3-amino-3-oxopropyl)-8-oxo-6,7-dihydroisoquinoline-5-carboxylic acid IUPAC Name: 5-(3-amino-3-oxopropyl)-8-oxo-6,7-dihydroisoquinoline-5-carboxylic acid Traditional Name: 5-(3-amino-3-keto-propyl)-8-keto-6,7-dihydroisoquinoline-5-carboxylic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1=O)C=NC=C2)(CCC(=O)N)C(=O)O

Isomeric SMILES

C1CC(C2=C(C1=O)C=NC=C2)(CCC(=O)N)C(=O)O

InChI

InChI=1S/C13H14N2O4/c14-11(17)2-5-13(12(18)19)4-1-10(16)8-7-15-6-3-9(8)13/h3,6-7H,1-2,4-5H2,(H2,14,17)(H,18,19)