[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C25H31N3O6 MolecularWeight: 469.53014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O6/c1-15(2)21(27-23(30)17-10-12-18(13-11-17)25(4,5)6)24(31)34-14-20(29)26-22-16(3)8-7-9-19(22)28(32)33/h7-13,15,21H,14H2,1-6H3,(H,26,29)(H,27,30)