3-(2-ethyl-2-oxidanyl-butanoyl)-11-methyl-benzo[b][1]benzazepine-5,6-dione

Systemtic Name: 3-(2-ethyl-2-oxidanyl-butanoyl)-11-methyl-benzo[b][1]benzazepine-5,6-dione Openeye Name: 3-(2-ethyl-2-hydroxy-butanoyl)-11-methyl-benzo[b][1]benzazepine-5,6-dione CAS Name: 3-(2-ethyl-2-hydroxy-1-oxobutyl)-11-methylbenzo[b][1]benzazepine-5,6-dione IUPAC Name: 3-(2-ethyl-2-hydroxybutanoyl)-11-methylbenzo[b][1]benzazepine-5,6-dione Traditional Name: 3-(2-ethyl-2-hydroxy-butanoyl)-11-methyl-benzo[b][1]benzazepine-5,6-quinone Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)C1=CC2=C(C=C1)N(C3=CC=CC=C3C(=O)C2=O)C)O

Isomeric SMILES

CCC(CC)(C(=O)C1=CC2=C(C=C1)N(C3=CC=CC=C3C(=O)C2=O)C)O

InChI

InChI=1S/C21H21NO4/c1-4-21(26,5-2)20(25)13-10-11-17-15(12-13)19(24)18(23)14-8-6-7-9-16(14)22(17)3/h6-12,26H,4-5H2,1-3H3