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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methyl-3-nitro-phenyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methyl-3-nitro-phenyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(4-methyl-3-nitrophenyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(4-methyl-3-nitrophenyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-methyl-3-nitro-phenyl)benzamide Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O5/c1-12-4-9-17(10-18(12)24(27)28)21-20(26)16-7-5-15(6-8-16)11-23-14(3)19(25(29)30)13(2)22-23/h4-10H,11H2,1-3H3,(H,21,26)