(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate Traditional Name: 4-succinimidobenzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C23H18N4O4 MolecularWeight: 414.41342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O)C4=CC=CC=C4

InChI

InChI=1S/C23H18N4O4/c1-15-19(13-24)20(27(25-15)18-5-3-2-4-6-18)14-31-23(30)16-7-9-17(10-8-16)26-21(28)11-12-22(26)29/h2-10H,11-12,14H2,1H3