3-azanyl-4-[[4-(trifluoromethyl)phenyl]amino]isochromen-1-one

Systemtic Name: 3-azanyl-4-[[4-(trifluoromethyl)phenyl]amino]isochromen-1-one Openeye Name: 3-amino-4-[4-(trifluoromethyl)anilino]isochromen-1-one CAS Name: 3-amino-4-[4-(trifluoromethyl)anilino]-2-benzopyran-1-one IUPAC Name: 3-amino-4-[4-(trifluoromethyl)anilino]isochromen-1-one Traditional Name: 3-amino-4-[4-(trifluoromethyl)anilino]isocoumarin Formula: C16H11F3N2O2 MolecularWeight: 320.26595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(OC2=O)N)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(OC2=O)N)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H11F3N2O2/c17-16(18,19)9-5-7-10(8-6-9)21-13-11-3-1-2-4-12(11)15(22)23-14(13)20/h1-8,21H,20H2