[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 3-azanyl-4-chloranyl-benzoate Openeye Name: [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl ester IUPAC Name: [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [4-keto-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl ester Formula: C17H11ClF3N3O3 MolecularWeight: 397.73575

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F)N)Cl

InChI

InChI=1S/C17H11ClF3N3O3/c18-11-4-1-8(5-12(11)22)16(26)27-7-14-23-13-6-9(17(19,20)21)2-3-10(13)15(25)24-14/h1-6H,7,22H2,(H,23,24,25)