2-[4-chloranyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-ethoxy-2-nitro-phenyl)propanamide

Systemtic Name: 2-[4-chloranyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-ethoxy-2-nitro-phenyl)propanamide Openeye Name: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-ethoxy-2-nitro-phenyl)propanamide CAS Name: 2-[4-chloro-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-ethoxy-2-nitrophenyl)propanamide IUPAC Name: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-ethoxy-2-nitrophenyl)propanamide Traditional Name: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-ethoxy-2-nitro-phenyl)propionamide Formula: C16H16ClF3N4O4 MolecularWeight: 420.77085

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C(C)N2C(=C(C(=N2)C(F)(F)F)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C(C)N2C(=C(C(=N2)C(F)(F)F)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClF3N4O4/c1-4-28-10-5-6-11(12(7-10)24(26)27)21-15(25)9(3)23-8(2)13(17)14(22-23)16(18,19)20/h5-7,9H,4H2,1-3H3,(H,21,25)