N-(3,4-dimethoxyphenyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)OC)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)OC)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c1-13-20(25(27)28)14(2)24(23-13)12-15-7-5-6-8-17(15)21(26)22-16-9-10-18(29-3)19(11-16)30-4/h5-11H,12H2,1-4H3,(H,22,26)