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

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-(4-nitropyrazol-1-yl)propionamide Formula: C20H19N5O6 MolecularWeight: 425.39476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C=N3)[N+](=O)[O-])C

InChI

InChI=1S/C20H19N5O6/c1-13-5-14(2)7-18(6-13)31-19-9-15(8-16(10-19)24(27)28)22-20(26)3-4-23-12-17(11-21-23)25(29)30/h5-12H,3-4H2,1-2H3,(H,22,26)