2-methyl-N-[3-(4-methylphenoxy)-5-nitro-phenyl]-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: 2-methyl-N-[3-(4-methylphenoxy)-5-nitro-phenyl]-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: 2-methyl-N-[3-(4-methylphenoxy)-5-nitro-phenyl]-3-(4-nitropyrazol-1-yl)propanamide CAS Name: 2-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: 2-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: 2-methyl-N-[3-(4-methylphenoxy)-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=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O6/c1-13-3-5-18(6-4-13)31-19-8-15(7-16(9-19)24(27)28)22-20(26)14(2)11-23-12-17(10-21-23)25(29)30/h3-10,12,14H,11H2,1-2H3,(H,22,26)