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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenoxy)propanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 3-(2-ethoxyphenoxy)propanoate CAS Name: 3-(2-ethoxyphenoxy)propanoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate Traditional Name: 3-(2-ethoxyphenoxy)propionic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O7/c1-2-28-17-5-3-4-6-18(17)29-10-9-20(25)30-13-19(24)22-16-8-7-15(23(26)27)11-14(16)12-21/h3-8,11H,2,9-10,13H2,1H3,(H,22,24)