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

Systemtic Name: N-[3-(2-methylphenoxy)-5-nitro-phenyl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[3-(2-methylphenoxy)-5-nitro-phenyl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[3-(2-methylphenoxy)-5-nitro-phenyl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C20H19N5O6 MolecularWeight: 425.39476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC=CC=C2C)[N+](=O)[O-])N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC=CC=C2C)[N+](=O)[O-])N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O6/c1-3-18(23-12-16(11-21-23)25(29)30)20(26)22-14-8-15(24(27)28)10-17(9-14)31-19-7-5-4-6-13(19)2/h4-12,18H,3H2,1-2H3,(H,22,26)