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

Systemtic Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)OC2=C(C=CC(=C2)C)C)[N+](=O)[O-])N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)OC2=C(C=CC(=C2)C)C)[N+](=O)[O-])N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6/c1-4-19(24-12-17(11-22-24)26(30)31)21(27)23-15-8-16(25(28)29)10-18(9-15)32-20-7-13(2)5-6-14(20)3/h5-12,19H,4H2,1-3H3,(H,23,27)