[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenoxy)propanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenoxy)propanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(4-tert-butylphenoxy)propanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(4-tert-butylphenoxy)propionic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-21(2,3)15-8-10-16(11-9-15)28-13-12-20(25)29-14-19(24)22-17-6-4-5-7-18(17)23(26)27/h4-11H,12-14H2,1-3H3,(H,22,24)