[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-tert-butylphenoxy)ethanoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-tert-butylphenoxy)ethanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 2-(2-tert-butylphenoxy)acetate CAS Name: 2-(2-tert-butylphenoxy)acetic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate Traditional Name: 2-(2-tert-butylphenoxy)acetic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

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