3-(1,7-dimethyl-10-oxidanylidene-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)-2-oxidanyl-propanoic acid

Systemtic Name: 3-(1,7-dimethyl-10-oxidanylidene-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)-2-oxidanyl-propanoic acid Openeye Name: 3-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)-2-hydroxy-propanoic acid CAS Name: 3-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)-2-hydroxypropanoic acid IUPAC Name: 3-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)-2-hydroxypropanoic acid Traditional Name: 2-hydroxy-3-(10-keto-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propionic acid Formula: C17H17NO5 MolecularWeight: 315.32058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5/c1-9-3-4-12-14(5-9)23-8-10-6-11(7-13(19)17(21)22)18(2)15(10)16(12)20/h3-6,13,19H,7-8H2,1-2H3,(H,21,22)