methyl 5-bromanyl-3-[[4-(trifluoromethyl)phenyl]carbonylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[[4-(trifluoromethyl)phenyl]carbonylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H12BrF3N2O3 MolecularWeight: 441.19869

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H12BrF3N2O3/c1-27-17(26)15-14(12-8-11(19)6-7-13(12)23-15)24-16(25)9-2-4-10(5-3-9)18(20,21)22/h2-8,23H,1H3,(H,24,25)