[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7/c1-12-7-13(2)9-16(8-12)28-11-19(23)29-14(3)20(24)21-17-10-15(22(25)26)5-6-18(17)27-4/h5-10,14H,11H2,1-4H3,(H,21,24)