N-[2-(3-chloranylphenoxy)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[2-(3-chloranylphenoxy)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[2-(3-chlorophenoxy)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[2-(3-chlorophenoxy)ethyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[2-(3-chlorophenoxy)ethyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[2-(3-chlorophenoxy)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCOC3=CC(=CC=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCOC3=CC(=CC=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O4/c1-14-20(26(28)29)15(2)25(24-14)13-16-6-8-17(9-7-16)21(27)23-10-11-30-19-5-3-4-18(22)12-19/h3-9,12H,10-11,13H2,1-2H3,(H,23,27)