(5-chloranyl-1-methyl-imidazol-2-yl)methyl 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 2-benzyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxylic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 2-benzyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-benzyl-1,3-diketo-isoindoline-5-carboxylic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C21H16ClN3O4 MolecularWeight: 409.82244

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H16ClN3O4/c1-24-17(22)10-23-18(24)12-29-21(28)14-7-8-15-16(9-14)20(27)25(19(15)26)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3