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

Systemtic Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C22H27N3O8 MolecularWeight: 461.46508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O8/c1-3-31-17-5-7-18(8-6-17)32-13-11-24-21(26)15-33-22(27)19-14-16(25(28)29)4-9-20(19)23-10-12-30-2/h4-9,14,23H,3,10-13,15H2,1-2H3,(H,24,26)