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

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C19H17N5O7 MolecularWeight: 427.36758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O7/c1-10-4-11(2)6-14(5-10)31-15-8-12(7-13(9-15)23(26)27)20-18(25)16-17(24(28)29)19(30-3)22-21-16/h4-9H,1-3H3,(H,20,25)(H,21,22)