N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[1-[(2,4-dimethylphenoxy)methyl]-4-pyrazolyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1)COC2=C(C=C(C=C2)C)C)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1)COC2=C(C=C(C=C2)C)C)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O4/c1-4-17(24-11-16(9-21-24)25(27)28)19(26)22-15-8-20-23(10-15)12-29-18-6-5-13(2)7-14(18)3/h5-11,17H,4,12H2,1-3H3,(H,22,26)