2-[(Z)-2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-1-chloranyl-ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 2-[(Z)-2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-1-chloranyl-ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-[(Z)-2-(3-bromo-4-ethoxy-5-methoxy-phenyl)-1-chloro-vinyl]-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-[(Z)-2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-chloroethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-[(Z)-2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-chloroethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-[(Z)-2-(3-bromo-4-ethoxy-5-methoxy-phenyl)-1-chloro-vinyl]-4-keto-1H-quinazoline-7-carboxylic acid Formula: C20H16BrClN2O5 MolecularWeight: 479.70844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C(C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C(/C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)\Cl)OC

InChI

InChI=1S/C20H16BrClN2O5/c1-3-29-17-13(21)6-10(8-16(17)28-2)7-14(22)18-23-15-9-11(20(26)27)4-5-12(15)19(25)24-18/h4-9H,3H2,1-2H3,(H,26,27)(H,23,24,25)/b14-7-