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

Systemtic Name: (E)-1-(4-methyl-3-nitro-phenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(4-methyl-3-nitrophenyl)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(4-methyl-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3/c1-15-7-9-18(11-19(15)23(25)26)20(24)10-8-17-12-21-22(14-17)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3/b10-8+