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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-o-anisyl-benzamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3OC)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-14-20(25(27)28)15(2)24(23-14)13-16-8-10-17(11-9-16)21(26)22-12-18-6-4-5-7-19(18)29-3/h4-11H,12-13H2,1-3H3,(H,22,26)