O4-[(2S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[(2S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[(1S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[(2S)-1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester O1-ethyl ester IUPAC Name: 4-O-[(2S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[(1S)-2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OC(C)C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)O[C@@H](C)C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C20H23N3O6/c1-5-28-16(24)11-12-17(25)29-14(3)19(26)21-18-13(2)22(4)23(20(18)27)15-9-7-6-8-10-15/h6-12,14H,5H2,1-4H3,(H,21,26)/b12-11+/t14-/m0/s1