methyl 4-[2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]benzoate

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]benzoate Openeye Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzoate CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzoate Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-4-keto-1,2-dihydroquinazolin-3-yl]benzoic acid methyl ester Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H18N2O5/c1-28-23(27)14-6-9-16(10-7-14)25-21(15-8-11-19-20(12-15)30-13-29-19)24-18-5-3-2-4-17(18)22(25)26/h2-12,21,24H,13H2,1H3