[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyric acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C18H23N3O7 MolecularWeight: 393.39112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O7/c1-4-18(2,3)19-15(22)11-27-16(23)6-5-9-20-13-8-7-12(21(25)26)10-14(13)28-17(20)24/h7-8,10H,4-6,9,11H2,1-3H3,(H,19,22)