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

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-propan-2-ylphenoxy)ethanoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 2-(4-isopropylphenoxy)acetate CAS Name: 2-(4-propan-2-ylphenoxy)acetic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-isopropylphenoxy)acetic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)COC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)COC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C20H22N2O6/c1-13(2)15-5-8-17(9-6-15)27-12-20(24)28-11-19(23)21-18-10-16(22(25)26)7-4-14(18)3/h4-10,13H,11-12H2,1-3H3,(H,21,23)