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

Systemtic Name: N-(4-acetamido-3-methyl-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(4-acetamido-3-methyl-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(4-acetamido-3-methylphenyl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(4-acetamido-3-methylphenyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(4-acetamido-3-methyl-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)NC(=O)C

InChI

InChI=1S/C22H23N5O4/c1-13-11-19(9-10-20(13)23-16(4)28)24-22(29)18-7-5-17(6-8-18)12-26-15(3)21(27(30)31)14(2)25-26/h5-11H,12H2,1-4H3,(H,23,28)(H,24,29)