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

Systemtic Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-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-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)ethylamino]-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-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C22H23N3O8 MolecularWeight: 457.43332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C22H23N3O8/c1-31-17-7-4-15(5-8-17)10-11-23-20(26)14-32-21(27)3-2-12-24-18-9-6-16(25(29)30)13-19(18)33-22(24)28/h4-9,13H,2-3,10-12,14H2,1H3,(H,23,26)