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

Systemtic Name: (E)-1-(4-chloranyl-3-nitro-phenyl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-chloro-3-nitro-phenyl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-(4-chloro-3-nitrophenyl)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(4-chloro-3-nitrophenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-chloro-3-nitro-phenyl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-en-1-one Formula: C20H16ClN3O3 MolecularWeight: 381.81234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H16ClN3O3/c1-13-17(14(2)23(22-13)16-6-4-3-5-7-16)9-11-20(25)15-8-10-18(21)19(12-15)24(26)27/h3-12H,1-2H3/b11-9+