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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N)C1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CN(CC(=O)N)C1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

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