N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C21H21N5O7 MolecularWeight: 455.42074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC=CC=C2OC)[N+](=O)[O-])N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC=CC=C2OC)[N+](=O)[O-])N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N5O7/c1-4-17(24-13(2)9-20(23-24)26(30)31)21(27)22-14-10-15(25(28)29)12-16(11-14)33-19-8-6-5-7-18(19)32-3/h5-12,17H,4H2,1-3H3,(H,22,27)