[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenoxy)propanoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenoxy)propanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 3-(2-ethoxyphenoxy)propanoate CAS Name: 3-(2-ethoxyphenoxy)propanoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate Traditional Name: 3-(2-ethoxyphenoxy)propionic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCC(=O)OCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1OCCC(=O)OCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O7/c1-4-28-18-7-5-6-8-19(18)29-10-9-21(25)30-13-20(24)22-16-11-14(2)15(3)12-17(16)23(26)27/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,22,24)