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

Systemtic Name: N-heptan-2-yl-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(1-methylhexyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-heptan-2-yl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-heptan-2-yl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-(1-methylhexyl)butyramide Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CCCCCC(C)NC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C18H25N3O5/c1-3-4-5-7-13(2)19-17(22)8-6-11-20-15-10-9-14(21(24)25)12-16(15)26-18(20)23/h9-10,12-13H,3-8,11H2,1-2H3,(H,19,22)