1-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[[2-(methylamino)-2-oxo-ethyl]amino]isoquinoline-3-carboxylic acid CAS Name: 1-[[2-(methylamino)-2-oxoethyl]amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[[2-(methylamino)-2-oxoethyl]amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[[2-keto-2-(methylamino)ethyl]amino]isoquinoline-3-carboxylic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CNC(=O)CNC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C13H13N3O3/c1-14-11(17)7-15-12-9-5-3-2-4-8(9)6-10(16-12)13(18)19/h2-6H,7H2,1H3,(H,14,17)(H,15,16)(H,18,19)