methyl 2-[(Z)-2-(4-tert-butylphenyl)-1-chloranyl-ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(Z)-2-(4-tert-butylphenyl)-1-chloranyl-ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(Z)-2-(4-tert-butylphenyl)-1-chloro-vinyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloroethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(Z)-2-(4-tert-butylphenyl)-1-chloroethenyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloro-vinyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C(C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C(/C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)\Cl

InChI

InChI=1S/C22H21ClN2O3/c1-22(2,3)15-8-5-13(6-9-15)11-17(23)19-24-18-12-14(21(27)28-4)7-10-16(18)20(26)25-19/h5-12H,1-4H3,(H,24,25,26)/b17-11-