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

Systemtic Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: [2-[2-(4-ethoxyphenoxy)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-ethoxyphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-ethoxyphenoxy)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-[2-(4-ethoxyphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C23H25N3O9 MolecularWeight: 487.4593

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C23H25N3O9/c1-2-32-17-6-8-18(9-7-17)33-13-11-24-21(27)15-34-22(28)4-3-12-25-19-10-5-16(26(30)31)14-20(19)35-23(25)29/h5-10,14H,2-4,11-13,15H2,1H3,(H,24,27)