[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C22H26N2O9 MolecularWeight: 462.44984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OCC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OCC)OC

InChI

InChI=1S/C22H26N2O9/c1-4-30-15-6-8-16(9-7-15)32-11-10-23-21(25)14-33-22(26)17-12-19(29-3)20(31-5-2)13-18(17)24(27)28/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,23,25)