2-(3-chloranyl-5-methoxy-4-propoxy-phenyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-(3-chloranyl-5-methoxy-4-propoxy-phenyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-(3-chloro-5-methoxy-4-propoxy-phenyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-(3-chloro-5-methoxy-4-propoxyphenyl)-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-(3-chloro-5-methoxy-4-propoxyphenyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-(3-chloro-5-methoxy-4-propoxy-phenyl)-4-keto-1H-quinazoline-7-carboxylate Formula: C19H16ClN2O5- MolecularWeight: 387.79374

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-])OC

InChI

InChI=1S/C19H17ClN2O5/c1-3-6-27-16-13(20)7-11(9-15(16)26-2)17-21-14-8-10(19(24)25)4-5-12(14)18(23)22-17/h4-5,7-9H,3,6H2,1-2H3,(H,24,25)(H,21,22,23)/p-1