ethyl 4-[2-(dimethylaminomethylideneamino)-3-nitro-5-(trifluoromethyl)phenyl]benzoate

Systemtic Name: ethyl 4-[2-(dimethylaminomethylideneamino)-3-nitro-5-(trifluoromethyl)phenyl]benzoate Openeye Name: ethyl 4-[2-(dimethylaminomethyleneamino)-3-nitro-5-(trifluoromethyl)phenyl]benzoate CAS Name: 4-[2-(dimethylaminomethylideneamino)-3-nitro-5-(trifluoromethyl)phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(dimethylaminomethylideneamino)-3-nitro-5-(trifluoromethyl)phenyl]benzoate Traditional Name: 4-[2-(dimethylaminomethyleneamino)-3-nitro-5-(trifluoromethyl)phenyl]benzoic acid ethyl ester Formula: C19H18F3N3O4 MolecularWeight: 409.35913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC(=CC(=C2N=CN(C)C)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC(=CC(=C2N=CN(C)C)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H18F3N3O4/c1-4-29-18(26)13-7-5-12(6-8-13)15-9-14(19(20,21)22)10-16(25(27)28)17(15)23-11-24(2)3/h5-11H,4H2,1-3H3