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

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-[(4-nitropyrazol-1-yl)methyl]benzamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-[(4-nitropyrazol-1-yl)methyl]benzamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3-[(4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3-[(4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-[(4-nitropyrazol-1-yl)methyl]benzamide Formula: C25H21N5O6 MolecularWeight: 487.46414

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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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C25H21N5O6/c1-16-6-17(2)8-23(7-16)36-24-11-20(10-21(12-24)29(32)33)27-25(31)19-5-3-4-18(9-19)14-28-15-22(13-26-28)30(34)35/h3-13,15H,14H2,1-2H3,(H,27,31)