[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-propoxyphenoxy)ethanoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-propoxyphenoxy)ethanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 2-(2-propoxyphenoxy)acetate CAS Name: 2-(2-propoxyphenoxy)acetic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate Traditional Name: 2-(2-propoxyphenoxy)acetic 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:

CCCOC1=CC=CC=C1OCC(=O)OCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=CC=C1OCC(=O)OCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-]

InChI

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