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

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-ethoxyphenoxy)propanoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 3-(4-ethoxyphenoxy)propanoate CAS Name: 3-(4-ethoxyphenoxy)propanoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate Traditional Name: 3-(4-ethoxyphenoxy)propionic acid [2-keto-2-(2-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=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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