(phenylmethyl) 2-methyl-3a,8b-bis(oxidanyl)-4-oxidanylidene-1H-indeno[1,2-b]pyrrole-3-carboxylate

Systemtic Name: (phenylmethyl) 2-methyl-3a,8b-bis(oxidanyl)-4-oxidanylidene-1H-indeno[1,2-b]pyrrole-3-carboxylate Openeye Name: benzyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate CAS Name: 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate Traditional Name: 3a,8b-dihydroxy-4-keto-2-methyl-1H-indeno[1,2-b]pyrrole-3-carboxylic acid benzyl ester Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2(C(=O)C3=CC=CC=C3C2(N1)O)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2(C(=O)C3=CC=CC=C3C2(N1)O)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H17NO5/c1-12-16(18(23)26-11-13-7-3-2-4-8-13)19(24)17(22)14-9-5-6-10-15(14)20(19,25)21-12/h2-10,21,24-25H,11H2,1H3