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

Systemtic Name: (E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-1-(4-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-1-(4-nitrophenyl)prop-2-en-1-one CAS Name: (E)-3-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1-(4-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-1-(4-nitrophenyl)prop-2-en-1-one Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C/C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O3/c1-15-20(16(2)23(22-15)14-17-6-4-3-5-7-17)12-13-21(25)18-8-10-19(11-9-18)24(26)27/h3-13H,14H2,1-2H3/b13-12+