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

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C18H21N3O5 MolecularWeight: 359.37644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C18H21N3O5/c1-4-18(5-2,6-3)19-16(22)8-7-11-20-14-10-9-13(21(24)25)12-15(14)26-17(20)23/h1,9-10,12H,5-8,11H2,2-3H3,(H,19,22)