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

Systemtic Name: 1-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[[2-(ethylamino)-2-oxo-ethyl]amino]isoquinoline-3-carboxylic acid CAS Name: 1-[[2-(ethylamino)-2-oxoethyl]amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[[2-(ethylamino)-2-oxoethyl]amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[[2-(ethylamino)-2-keto-ethyl]amino]isoquinoline-3-carboxylic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3/c1-2-15-12(18)8-16-13-10-6-4-3-5-9(10)7-11(17-13)14(19)20/h3-7H,2,8H2,1H3,(H,15,18)(H,16,17)(H,19,20)