ethyl 2-azanyl-6-nitro-4-[[4-(trifluoromethyl)phenyl]methylamino]benzoate

Systemtic Name: ethyl 2-azanyl-6-nitro-4-[[4-(trifluoromethyl)phenyl]methylamino]benzoate Openeye Name: ethyl 2-amino-6-nitro-4-[[4-(trifluoromethyl)phenyl]methylamino]benzoate CAS Name: 2-amino-6-nitro-4-[[4-(trifluoromethyl)phenyl]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 2-amino-6-nitro-4-[[4-(trifluoromethyl)phenyl]methylamino]benzoate Traditional Name: 2-amino-6-nitro-4-[[4-(trifluoromethyl)benzyl]amino]benzoic acid ethyl ester Formula: C17H16F3N3O4 MolecularWeight: 383.32185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1[N+](=O)[O-])NCC2=CC=C(C=C2)C(F)(F)F)N

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1[N+](=O)[O-])NCC2=CC=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C17H16F3N3O4/c1-2-27-16(24)15-13(21)7-12(8-14(15)23(25)26)22-9-10-3-5-11(6-4-10)17(18,19)20/h3-8,22H,2,9,21H2,1H3