3-butyl-4-oxidanylidene-pyrimido[4,5-b]quinoline-2-carboxylate

Systemtic Name: 3-butyl-4-oxidanylidene-pyrimido[4,5-b]quinoline-2-carboxylate Openeye Name: 3-butyl-4-oxo-pyrimido[4,5-b]quinoline-2-carboxylate CAS Name: 3-butyl-4-oxo-2-pyrimido[4,5-b]quinolinecarboxylate IUPAC Name: 3-butyl-4-oxopyrimido[4,5-b]quinoline-2-carboxylate Traditional Name: 3-butyl-4-keto-pyrimido[4,5-b]quinoline-2-carboxylate Formula: C16H14N3O3- MolecularWeight: 296.30066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC3=CC=CC=C3N=C2N=C1C(=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC3=CC=CC=C3N=C2N=C1C(=O)[O-]

InChI

InChI=1S/C16H15N3O3/c1-2-3-8-19-14(16(21)22)18-13-11(15(19)20)9-10-6-4-5-7-12(10)17-13/h4-7,9H,2-3,8H2,1H3,(H,21,22)/p-1