ethyl 7-acetyloxy-8-methoxy-4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate

Systemtic Name: ethyl 7-acetyloxy-8-methoxy-4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate Openeye Name: ethyl 7-acetoxy-8-methoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate CAS Name: 7-acetyloxy-8-methoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-acetyloxy-8-methoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate Traditional Name: 7-acetoxy-4-keto-8-methoxy-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid ethyl ester Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=O)C2=C(N1)N=C3C=C(C(=CC3=C2)OC(=O)C)OC

Isomeric SMILES

CCOC(=O)C1=NC(=O)C2=C(N1)N=C3C=C(C(=CC3=C2)OC(=O)C)OC

InChI

InChI=1S/C17H15N3O6/c1-4-25-17(23)15-19-14-10(16(22)20-15)5-9-6-13(26-8(2)21)12(24-3)7-11(9)18-14/h5-7H,4H2,1-3H3,(H,18,19,20,22)