2-(3-methylpyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide

Systemtic Name: 2-(3-methylpyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide Openeye Name: 2-(3-methylpyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide CAS Name: 2-(3-methyl-1-pyrazolyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide IUPAC Name: 2-(3-methylpyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide Traditional Name: 2-(3-methylpyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propionamide Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)C(C)C(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C=C1)C(C)C(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-13-8-14(2)16(4)21(9-13)30-20-11-18(10-19(12-20)26(28)29)23-22(27)17(5)25-7-6-15(3)24-25/h6-12,17H,1-5H3,(H,23,27)