[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-ethoxyphenoxy)propanoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-ethoxyphenoxy)propanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 3-(4-ethoxyphenoxy)propanoate CAS Name: 3-(4-ethoxyphenoxy)propanoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate Traditional Name: 3-(4-ethoxyphenoxy)propionic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7/c1-3-27-16-6-8-17(9-7-16)28-11-10-20(24)29-13-19(23)21-15-5-4-14(2)18(12-15)22(25)26/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,23)