(E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-3-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-1-(4-methyl-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1-(4-methyl-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=CC2=C(N(N=C2C)CC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)/C=C/C2=C(N(N=C2C)CC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O3/c1-15-9-10-19(13-21(15)25(27)28)22(26)12-11-20-16(2)23-24(17(20)3)14-18-7-5-4-6-8-18/h4-13H,14H2,1-3H3/b12-11+