N-[2-(2,4-dichlorophenyl)pentyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[2-(2,4-dichlorophenyl)pentyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[2-(2,4-dichlorophenyl)pentyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[2-(2,4-dichlorophenyl)pentyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[2-(2,4-dichlorophenyl)pentyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[2-(2,4-dichlorophenyl)pentyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C18H22Cl2N4O3 MolecularWeight: 413.29828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC(=O)CN1C(=C(C(=N1)C)[N+](=O)[O-])C)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCC(CNC(=O)CN1C(=C(C(=N1)C)[N+](=O)[O-])C)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H22Cl2N4O3/c1-4-5-13(15-7-6-14(19)8-16(15)20)9-21-17(25)10-23-12(3)18(24(26)27)11(2)22-23/h6-8,13H,4-5,9-10H2,1-3H3,(H,21,25)