(2S)-3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-2-phenyl-1H-quinazoline-2-carboxylate

Systemtic Name: (2S)-3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-2-phenyl-1H-quinazoline-2-carboxylate Openeye Name: (2S)-3-(3-chloro-4-methyl-phenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate CAS Name: (2S)-3-(3-chloro-4-methylphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate IUPAC Name: (2S)-3-(3-chloro-4-methylphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate Traditional Name: (2S)-3-(3-chloro-4-methyl-phenyl)-4-keto-2-phenyl-1H-quinazoline-2-carboxylate Formula: C22H16ClN2O3- MolecularWeight: 391.82704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3NC2(C4=CC=CC=C4)C(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N[C@]2(C4=CC=CC=C4)C(=O)[O-])Cl

InChI

InChI=1S/C22H17ClN2O3/c1-14-11-12-16(13-18(14)23)25-20(26)17-9-5-6-10-19(17)24-22(25,21(27)28)15-7-3-2-4-8-15/h2-13,24H,1H3,(H,27,28)/p-1/t22-/m0/s1