[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenyl)propanoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenyl)propanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 3-(4-tert-butylphenyl)propanoate CAS Name: 3-(4-tert-butylphenyl)propanoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate Traditional Name: 3-(4-tert-butylphenyl)propionic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-22(2,3)16-8-5-15(6-9-16)7-12-21(26)30-14-20(25)23-18-13-17(24(27)28)10-11-19(18)29-4/h5-6,8-11,13H,7,12,14H2,1-4H3,(H,23,25)