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

Systemtic Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]benzamide Openeye Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]benzamide CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide IUPAC Name: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]benzamide Traditional Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]benzamide Formula: C27H25N5O6 MolecularWeight: 515.5173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C27H25N5O6/c1-16-8-17(2)10-24(9-16)38-25-13-22(12-23(14-25)31(34)35)28-27(33)21-7-5-6-20(11-21)15-30-19(4)26(32(36)37)18(3)29-30/h5-14H,15H2,1-4H3,(H,28,33)