2-[(4-bromophenyl)-oxidanyl-methyl]-6-methyl-1-phenylazanyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione

Systemtic Name: 2-[(4-bromophenyl)-oxidanyl-methyl]-6-methyl-1-phenylazanyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Openeye Name: 1-anilino-2-[(4-bromophenyl)-hydroxy-methyl]-6-methyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione CAS Name: 1-anilino-2-[(4-bromophenyl)-hydroxymethyl]-6-methyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione IUPAC Name: 1-anilino-2-[(4-bromophenyl)-hydroxymethyl]-6-methyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Traditional Name: 1-anilino-2-[(4-bromophenyl)-hydroxy-methyl]-6-methyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-quinone Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C=CC(N(C2C1=O)NC3=CC=CC=C3)C(C4=CC=C(C=C4)Br)O

Isomeric SMILES

CN1C(=O)C2C=CC(N(C2C1=O)NC3=CC=CC=C3)C(C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C21H20BrN3O3/c1-24-20(27)16-11-12-17(19(26)13-7-9-14(22)10-8-13)25(18(16)21(24)28)23-15-5-3-2-4-6-15/h2-12,16-19,23,26H,1H3