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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-N-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-N-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-N-(3-nitrophenyl)acrylamide Formula: C17H19ClN4O3 MolecularWeight: 362.81076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])Cl)CC(C)C

InChI

InChI=1S/C17H19ClN4O3/c1-11(2)10-21-17(18)15(12(3)20-21)7-8-16(23)19-13-5-4-6-14(9-13)22(24)25/h4-9,11H,10H2,1-3H3,(H,19,23)/b8-7+