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

Systemtic Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-3-(5-methylpyrazol-1-yl)propanamide Openeye Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-3-(5-methylpyrazol-1-yl)propanamide CAS Name: N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-3-(5-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-3-(5-methylpyrazol-1-yl)propanamide Traditional Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-3-(5-methylpyrazol-1-yl)propionamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=CC=N3)C

InChI

InChI=1S/C21H22N4O4/c1-14-4-5-15(2)20(10-14)29-19-12-17(11-18(13-19)25(27)28)23-21(26)7-9-24-16(3)6-8-22-24/h4-6,8,10-13H,7,9H2,1-3H3,(H,23,26)