1-[5-(3-methyl-4-nitro-phenyl)-3-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone

Systemtic Name: 1-[5-(3-methyl-4-nitro-phenyl)-3-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone Openeye Name: 1-[5-(3-methyl-4-nitro-phenyl)-3-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone CAS Name: 1-[5-(3-methyl-4-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-1-pyrazolyl]ethanone IUPAC Name: 1-[5-(3-methyl-4-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone Traditional Name: 1-[5-(3-methyl-4-nitro-phenyl)-3-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=NN2C(=O)C)C3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=NN2C(=O)C)C3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-12-8-14(6-7-17(12)24(26)27)18-11-16(22-23(18)13(2)25)15-9-19(28-3)21(30-5)20(10-15)29-4/h6-11H,1-5H3