N-(1-adamantylmethyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-(1-adamantylmethyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(1-adamantylmethyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(1-adamantylmethyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(1-adamantylmethyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(1-adamantylmethyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

InChI

InChI=1S/C22H27N3O5/c26-20(23-13-22-10-14-6-15(11-22)8-16(7-14)12-22)2-1-5-24-18-4-3-17(25(28)29)9-19(18)30-21(24)27/h3-4,9,14-16H,1-2,5-8,10-13H2,(H,23,26)