2-azanyl-3-cyano-4-[3-(trifluoromethyloxy)phenyl]-4H-benzo[h]chromene-6-carboxylic acid

Systemtic Name: 2-azanyl-3-cyano-4-[3-(trifluoromethyloxy)phenyl]-4H-benzo[h]chromene-6-carboxylic acid Openeye Name: 2-amino-3-cyano-4-[3-(trifluoromethoxy)phenyl]-4H-benzo[h]chromene-6-carboxylic acid CAS Name: 2-amino-3-cyano-4-[3-(trifluoromethoxy)phenyl]-4H-benzo[h][1]benzopyran-6-carboxylic acid IUPAC Name: 2-amino-3-cyano-4-[3-(trifluoromethoxy)phenyl]-4H-benzo[h]chromene-6-carboxylic acid Traditional Name: 2-amino-3-cyano-4-[3-(trifluoromethoxy)phenyl]-4H-benzo[h]chromene-6-carboxylic acid Formula: C22H13F3N2O4 MolecularWeight: 426.34483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=C2OC(=C(C3C4=CC(=CC=C4)OC(F)(F)F)C#N)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC3=C2OC(=C(C3C4=CC(=CC=C4)OC(F)(F)F)C#N)N)C(=O)O

InChI

InChI=1S/C22H13F3N2O4/c23-22(24,25)31-12-5-3-4-11(8-12)18-16-9-15(21(28)29)13-6-1-2-7-14(13)19(16)30-20(27)17(18)10-26/h1-9,18H,27H2,(H,28,29)