4-(3,4-dimethoxyphenyl)-6-methoxy-7-oxidanylidene-2-(1,2,4-triazol-1-ylmethyl)-1H-quinoline-3-carboxylate

Systemtic Name: 4-(3,4-dimethoxyphenyl)-6-methoxy-7-oxidanylidene-2-(1,2,4-triazol-1-ylmethyl)-1H-quinoline-3-carboxylate Openeye Name: 4-(3,4-dimethoxyphenyl)-6-methoxy-7-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-quinoline-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-6-methoxy-7-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-quinoline-3-carboxylate IUPAC Name: 4-(3,4-dimethoxyphenyl)-6-methoxy-7-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-quinoline-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-7-keto-6-methoxy-2-(1,2,4-triazol-1-ylmethyl)-1H-quinoline-3-carboxylate Formula: C22H19N4O6- MolecularWeight: 435.40946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=C(C(=O)C=C3NC(=C2C(=O)[O-])CN4C=NC=N4)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=C(C(=O)C=C3NC(=C2C(=O)[O-])CN4C=NC=N4)OC)OC

InChI

InChI=1S/C22H20N4O6/c1-30-17-5-4-12(6-19(17)32-3)20-13-7-18(31-2)16(27)8-14(13)25-15(21(20)22(28)29)9-26-11-23-10-24-26/h4-8,10-11,25H,9H2,1-3H3,(H,28,29)/p-1