methyl 4-[6-bromanyl-3-(3-methoxyphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzoate

Systemtic Name: methyl 4-[6-bromanyl-3-(3-methoxyphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzoate Openeye Name: methyl 4-[6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate CAS Name: 4-[6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate Traditional Name: 4-[6-bromo-4-keto-3-(3-methoxyphenyl)-1,2-dihydroquinazolin-2-yl]benzoic acid methyl ester Formula: C23H19BrN2O4 MolecularWeight: 467.31196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(NC3=C(C2=O)C=C(C=C3)Br)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2C(NC3=C(C2=O)C=C(C=C3)Br)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H19BrN2O4/c1-29-18-5-3-4-17(13-18)26-21(14-6-8-15(9-7-14)23(28)30-2)25-20-11-10-16(24)12-19(20)22(26)27/h3-13,21,25H,1-2H3