[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O6/c1-22(2,3)16-6-4-14(5-7-16)21(29)24-12-20(28)32-13-19(27)25-18-9-8-17(26(30)31)10-15(18)11-23/h4-10H,12-13H2,1-3H3,(H,24,29)(H,25,27)