2-azanyl-8-(trifluoromethyl)-3H-1-benzazepine-4-carboxylic acid

Systemtic Name: 2-azanyl-8-(trifluoromethyl)-3H-1-benzazepine-4-carboxylic acid Openeye Name: 2-amino-8-(trifluoromethyl)-3H-1-benzazepine-4-carboxylic acid CAS Name: 2-amino-8-(trifluoromethyl)-3H-1-benzazepine-4-carboxylic acid IUPAC Name: 2-amino-8-(trifluoromethyl)-3H-1-benzazepine-4-carboxylic acid Traditional Name: 2-amino-8-(trifluoromethyl)-3H-1-benzazepine-4-carboxylic acid Formula: C12H9F3N2O2 MolecularWeight: 270.20727

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=C(C=C(C=C2)C(F)(F)F)N=C1N)C(=O)O

Isomeric SMILES

C1C(=CC2=C(C=C(C=C2)C(F)(F)F)N=C1N)C(=O)O

InChI

InChI=1S/C12H9F3N2O2/c13-12(14,15)8-2-1-6-3-7(11(18)19)4-10(16)17-9(6)5-8/h1-3,5H,4H2,(H2,16,17)(H,18,19)