2-[(Z)-1-chloranyl-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-[(Z)-1-chloranyl-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-[(Z)-1-chloro-2-(3-hydroxy-4-methoxy-phenyl)vinyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(Z)-1-chloro-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[(Z)-1-chloro-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(Z)-1-chloro-2-(3-hydroxy-4-methoxy-phenyl)vinyl]-4-keto-1H-quinazoline-7-carboxylate Formula: C18H12ClN2O5- MolecularWeight: 371.75128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-])Cl)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(/C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-])\Cl)O

InChI

InChI=1S/C18H13ClN2O5/c1-26-15-5-2-9(7-14(15)22)6-12(19)16-20-13-8-10(18(24)25)3-4-11(13)17(23)21-16/h2-8,22H,1H3,(H,24,25)(H,20,21,23)/p-1/b12-6-