4-[(5R)-2,4,6-tris(oxidanylidene)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl]benzoate

Systemtic Name: 4-[(5R)-2,4,6-tris(oxidanylidene)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl]benzoate Openeye Name: 4-[(5R)-2,4,6-trioxo-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl]benzoate CAS Name: 4-[(5R)-2,4,6-trioxo-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl]benzoate IUPAC Name: 4-[(5R)-2,4,6-trioxo-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl]benzoate Traditional Name: 4-[(5R)-2,4,6-triketo-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl]benzoate Formula: C18H14N3O5- MolecularWeight: 352.32086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C3=C(N2)NC(=O)NC3=O)C4=CC=C(C=C4)C(=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2=C([C@H](C3=C(N2)NC(=O)NC3=O)C4=CC=C(C=C4)C(=O)[O-])C(=O)C1

InChI

InChI=1S/C18H15N3O5/c22-11-3-1-2-10-13(11)12(8-4-6-9(7-5-8)17(24)25)14-15(19-10)20-18(26)21-16(14)23/h4-7,12H,1-3H2,(H,24,25)(H3,19,20,21,23,26)/p-1/t12-/m1/s1