2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]-N-(3-methylbutylcarbamoyl)ethanamide

Systemtic Name: 2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]acetamide CAS Name: 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: N-(isoamylcarbamoyl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]acetamide Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25N3O6/c1-14(2)10-11-22-21(26)23-20(25)13-30-19-9-6-16(24(27)28)12-18(19)15-4-7-17(29-3)8-5-15/h4-9,12,14H,10-11,13H2,1-3H3,(H2,22,23,25,26)