(E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methyl-5-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methyl-5-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-N-(2-methyl-5-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-N-(2-methyl-5-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methyl-5-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-N-(2-methyl-5-nitro-phenyl)acrylamide Formula: C18H21ClN4O3 MolecularWeight: 376.83734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C=CC2=C(N(N=C2C)CC(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)/C=C/C2=C(N(N=C2C)CC(C)C)Cl

InChI

InChI=1S/C18H21ClN4O3/c1-11(2)10-22-18(19)15(13(4)21-22)7-8-17(24)20-16-9-14(23(25)26)6-5-12(16)3/h5-9,11H,10H2,1-4H3,(H,20,24)/b8-7+