1-hexyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-hexyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-hexyl-4-oxo-quinoline-3-carboxylate CAS Name: 1-hexyl-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-hexyl-4-oxoquinoline-3-carboxylate Traditional Name: 1-hexyl-4-keto-quinoline-3-carboxylate Formula: C16H18NO3- MolecularWeight: 272.31902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(C(=O)C2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

CCCCCCN1C=C(C(=O)C2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C16H19NO3/c1-2-3-4-7-10-17-11-13(16(19)20)15(18)12-8-5-6-9-14(12)17/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,19,20)/p-1