N-(3-methylbutyl)-2-[[3-methylbutyl-(3-nitrophenyl)carbonyl-amino]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-2-[[3-methylbutyl-(3-nitrophenyl)carbonyl-amino]methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-isopentyl-2-[[isopentyl-(3-nitrobenzoyl)amino]methyl]oxazole-4-carboxamide CAS Name: N-(3-methylbutyl)-2-[[3-methylbutyl-[(3-nitrophenyl)-oxomethyl]amino]methyl]-4-oxazolecarboxamide IUPAC Name: N-(3-methylbutyl)-2-[[3-methylbutyl-(3-nitrobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-isoamyl-2-[[isoamyl-(3-nitrobenzoyl)amino]methyl]oxazole-4-carboxamide Formula: C22H30N4O5 MolecularWeight: 430.4974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=COC(=N1)CN(CCC(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)C1=COC(=N1)CN(CCC(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O5/c1-15(2)8-10-23-21(27)19-14-31-20(24-19)13-25(11-9-16(3)4)22(28)17-6-5-7-18(12-17)26(29)30/h5-7,12,14-16H,8-11,13H2,1-4H3,(H,23,27)