[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-(2-isopropyl-5-methyl-phenoxy)acetate CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)acetic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)acetic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H21N3O6/c1-13(2)17-6-4-14(3)8-19(17)29-12-21(26)30-11-20(25)23-18-7-5-16(24(27)28)9-15(18)10-22/h4-9,13H,11-12H2,1-3H3,(H,23,25)