[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-tert-butylphenoxy)ethanoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-tert-butylphenoxy)ethanoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)COC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H24N2O6/c1-14(20(25)22-17-7-5-6-8-18(17)23(26)27)29-19(24)13-28-16-11-9-15(10-12-16)21(2,3)4/h5-12,14H,13H2,1-4H3,(H,22,25)