N-(3-methyl-2-phenyl-butyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-(3-methyl-2-phenyl-butyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(3-methyl-2-phenyl-butyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(3-methyl-2-phenylbutyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(3-methyl-2-phenylbutyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-(3-methyl-2-phenyl-butyl)butyramide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CNC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5/c1-15(2)18(16-7-4-3-5-8-16)14-23-21(26)9-6-12-24-19-11-10-17(25(28)29)13-20(19)30-22(24)27/h3-5,7-8,10-11,13,15,18H,6,9,12,14H2,1-2H3,(H,23,26)