[4-(2-chloranyl-4-nitro-phenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [4-(2-chloranyl-4-nitro-phenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] (E)-3-phenylprop-2-enoate Openeye Name: [4-(2-chloro-4-nitro-benzoyl)-2,5-dimethyl-pyrazol-3-yl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [4-[(2-chloro-4-nitrophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl] ester IUPAC Name: [4-(2-chloro-4-nitrobenzoyl)-2,5-dimethylpyrazol-3-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [4-(2-chloro-4-nitro-benzoyl)-2,5-dimethyl-pyrazol-3-yl] ester Formula: C21H16ClN3O5 MolecularWeight: 425.82184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C21H16ClN3O5/c1-13-19(20(27)16-10-9-15(25(28)29)12-17(16)22)21(24(2)23-13)30-18(26)11-8-14-6-4-3-5-7-14/h3-12H,1-2H3/b11-8+