bis[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] (E)-but-2-enedioate

Systemtic Name: bis[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] (E)-but-2-enedioate Openeye Name: bis[2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid bis[2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: bis[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid bis[2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C20H26N6O6 MolecularWeight: 446.45704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C=CC(=O)OCC(=O)NC2=CC=NN2C(C)C

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)/C=C/C(=O)OCC(=O)NC2=CC=NN2C(C)C

InChI

InChI=1S/C20H26N6O6/c1-13(2)25-15(7-9-21-25)23-17(27)11-31-19(29)5-6-20(30)32-12-18(28)24-16-8-10-22-26(16)14(3)4/h5-10,13-14H,11-12H2,1-4H3,(H,23,27)(H,24,28)/b6-5+