[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5/c1-13-5-8-15(9-6-13)21-18(23)12-27-19(24)14-7-10-16(20(2,3)4)17(11-14)22(25)26/h5-11H,12H2,1-4H3,(H,21,23)