(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-(4-fluoranyl-3-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-(4-fluoranyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(4-fluoro-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-N-(4-fluoro-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(4-fluoro-3-nitro-phenyl)acrylamide Formula: C17H18ClFN4O3 MolecularWeight: 380.801223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H18ClFN4O3/c1-3-4-9-22-17(18)13(11(2)21-22)6-8-16(24)20-12-5-7-14(19)15(10-12)23(25)26/h5-8,10H,3-4,9H2,1-2H3,(H,20,24)/b8-6+