methyl 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]oxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]oxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]oxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H17BrN2O6 MolecularWeight: 473.27348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H17BrN2O6/c1-28-17-7-5-14(22)9-12(17)4-8-19(25)30-11-18-23-16-10-13(21(27)29-2)3-6-15(16)20(26)24-18/h3-10H,11H2,1-2H3,(H,23,24,26)/b8-4+