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

Systemtic Name: 1-[(2-azanyl-2-oxidanylidene-ethyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[(2-amino-2-oxo-ethyl)amino]isoquinoline-3-carboxylic acid CAS Name: 1-[(2-amino-2-oxoethyl)amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[(2-amino-2-oxoethyl)amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[(2-amino-2-keto-ethyl)amino]isoquinoline-3-carboxylic acid Formula: C12H11N3O3 MolecularWeight: 245.23404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2NCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2NCC(=O)N)C(=O)O

InChI

InChI=1S/C12H11N3O3/c13-10(16)6-14-11-8-4-2-1-3-7(8)5-9(15-11)12(17)18/h1-5H,6H2,(H2,13,16)(H,14,15)(H,17,18)