N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C18H15N5O6 MolecularWeight: 397.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3)[N+](=O)[O-])C

InChI

InChI=1S/C18H15N5O6/c1-10-3-11(2)5-14(4-10)29-15-7-12(6-13(8-15)22(25)26)20-18(24)17-16(23(27)28)9-19-21-17/h3-9H,1-2H3,(H,19,21)(H,20,24)