bis[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enedioate

Systemtic Name: bis[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enedioate Openeye Name: bis[2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid bis[2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: bis[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid bis[2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl] ester Formula: C22H28N4O8 MolecularWeight: 476.47972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)COC(=O)C=CC(=O)OCC(=O)NC2=CC(=NO2)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)COC(=O)/C=C/C(=O)OCC(=O)NC2=CC(=NO2)C(C)(C)C

InChI

InChI=1S/C22H28N4O8/c1-21(2,3)13-9-17(33-25-13)23-15(27)11-31-19(29)7-8-20(30)32-12-16(28)24-18-10-14(26-34-18)22(4,5)6/h7-10H,11-12H2,1-6H3,(H,23,27)(H,24,28)/b8-7+