2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]quinoline-4-carboxylic acid

Systemtic Name: 2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]quinoline-4-carboxylic acid Openeye Name: 2-[[2-(ethylamino)-2-oxo-ethyl]amino]quinoline-4-carboxylic acid CAS Name: 2-[[2-(ethylamino)-2-oxoethyl]amino]-4-quinolinecarboxylic acid IUPAC Name: 2-[[2-(ethylamino)-2-oxoethyl]amino]quinoline-4-carboxylic acid Traditional Name: 2-[[2-(ethylamino)-2-keto-ethyl]amino]cinchoninic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CNC1=NC2=CC=CC=C2C(=C1)C(=O)O

Isomeric SMILES

CCNC(=O)CNC1=NC2=CC=CC=C2C(=C1)C(=O)O

InChI

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