1,7-dimethyl-2-(2-oxidanyl-3-oxidanylidene-butyl)-4H-[1]benzoxepino[4,3-b]pyrrol-10-one

Systemtic Name: 1,7-dimethyl-2-(2-oxidanyl-3-oxidanylidene-butyl)-4H-[1]benzoxepino[4,3-b]pyrrol-10-one Openeye Name: 2-(2-hydroxy-3-oxo-butyl)-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one CAS Name: 2-(2-hydroxy-3-oxobutyl)-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one IUPAC Name: 2-(2-hydroxy-3-oxobutyl)-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one Traditional Name: 2-(2-hydroxy-3-keto-butyl)-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C3=C(CO2)C=C(N3C)CC(C(=O)C)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C3=C(CO2)C=C(N3C)CC(C(=O)C)O

InChI

InChI=1S/C18H19NO4/c1-10-4-5-14-16(6-10)23-9-12-7-13(8-15(21)11(2)20)19(3)17(12)18(14)22/h4-7,15,21H,8-9H2,1-3H3