ethyl 2-azanyl-6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-amino-6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2-amino-6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-amino-6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C16H16F3N3O4 MolecularWeight: 371.31115

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-])C)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-])C)N

InChI

InChI=1S/C16H16F3N3O4/c1-3-26-15(23)12-11(13(22(24)25)8(2)21-14(12)20)9-6-4-5-7-10(9)16(17,18)19/h4-7,11,21H,3,20H2,1-2H3