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

Systemtic Name: 2-(1,7-dimethyl-10-oxidanylidene-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanedioic acid Openeye Name: 2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanedioic acid CAS Name: 2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanedioic acid IUPAC Name: 2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)propanedioic acid Traditional Name: 2-(10-keto-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)malonic acid Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6/c1-8-3-4-10-12(5-8)24-7-9-6-11(13(16(20)21)17(22)23)18(2)14(9)15(10)19/h3-6,13H,7H2,1-2H3,(H,20,21)(H,22,23)