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

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O6/c1-15-5-10-18(26(30)31)13-19(15)25-20(27)14-32-21(28)11-12-24-22(29)16-6-8-17(9-7-16)23(2,3)4/h5-10,13H,11-12,14H2,1-4H3,(H,24,29)(H,25,27)