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

Systemtic Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-(4-methyl-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-methyl-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3/c1-14-9-10-17(13-20(14)24(26)27)21(25)12-11-19-15(2)22-23(16(19)3)18-7-5-4-6-8-18/h4-13H,1-3H3/b12-11+