N-[1-[(3-chloranylphenoxy)methyl]pyrazol-4-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[1-[(3-chloranylphenoxy)methyl]pyrazol-4-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[1-[(3-chlorophenoxy)methyl]-4-pyrazolyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C18H19ClN6O4 MolecularWeight: 418.83426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN6O4/c1-3-16(24-12(2)7-17(22-24)25(27)28)18(26)21-14-9-20-23(10-14)11-29-15-6-4-5-13(19)8-15/h4-10,16H,3,11H2,1-2H3,(H,21,26)