3-chloranyl-4-(1-methyl-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl)-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-4-(1-methyl-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl)-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-chloro-4-(1-methyl-5-oxo-3-phenyl-4H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 3-chloro-4-(1-methyl-5-oxo-3-phenyl-4H-pyrazol-4-yl)-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-chloro-4-(1-methyl-5-oxo-3-phenyl-4H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-chloro-4-(5-keto-1-methyl-3-phenyl-2-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

CN1C(=O)C(C(=N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H16ClN3O3/c1-24-19(26)16(18(23-24)14-10-6-3-7-11-14)15-17(22)21(28)25(20(15)27)12-13-8-4-2-5-9-13/h2-11,16H,12H2,1H3