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

Systemtic Name: N-(4-acetamidophenyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(4-acetamidophenyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(4-acetamidophenyl)-2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(4-acetamidophenyl)-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(4-acetamidophenyl)-2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4/c1-13-20(26(29)30)14(2)25(24-13)12-16-6-4-5-7-19(16)21(28)23-18-10-8-17(9-11-18)22-15(3)27/h4-11H,12H2,1-3H3,(H,22,27)(H,23,28)