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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-1-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-1-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-1-(3-nitrophenyl)prop-2-en-1-one Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O3/c1-11(2)10-20-17(18)15(12(3)19-20)7-8-16(22)13-5-4-6-14(9-13)21(23)24/h4-9,11H,10H2,1-3H3/b8-7+