(3S)-1-hexyl-2,4-bis(oxidanylidene)quinoline-3-carboxylate

Systemtic Name: (3S)-1-hexyl-2,4-bis(oxidanylidene)quinoline-3-carboxylate Openeye Name: (3S)-1-hexyl-2,4-dioxo-quinoline-3-carboxylate CAS Name: (3S)-1-hexyl-2,4-dioxo-3-quinolinecarboxylate IUPAC Name: (3S)-1-hexyl-2,4-dioxoquinoline-3-carboxylate Traditional Name: (3S)-1-hexyl-2,4-diketo-quinoline-3-carboxylate Formula: C16H18NO4- MolecularWeight: 288.31842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2C(=O)C(C1=O)C(=O)[O-]

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2C(=O)[C@@H](C1=O)C(=O)[O-]

InChI

InChI=1S/C16H19NO4/c1-2-3-4-7-10-17-12-9-6-5-8-11(12)14(18)13(15(17)19)16(20)21/h5-6,8-9,13H,2-4,7,10H2,1H3,(H,20,21)/p-1/t13-/m0/s1