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

Systemtic Name: methyl 6-methyl-5-nitro-2-propyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 6-methyl-5-nitro-2-propyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 6-methyl-5-nitro-2-propyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-5-nitro-2-propyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-methyl-5-nitro-2-propyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C18H19F3N2O4 MolecularWeight: 384.34967

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC

Isomeric SMILES

CCCC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC

InChI

InChI=1S/C18H19F3N2O4/c1-4-7-13-15(17(24)27-3)14(16(23(25)26)10(2)22-13)11-8-5-6-9-12(11)18(19,20)21/h5-6,8-9,14,22H,4,7H2,1-3H3