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

Systemtic Name: 2-(1,7-dimethyl-10-oxidanylidene-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)ethanoic acid Openeye Name: 2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)acetic acid CAS Name: 2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)acetic acid IUPAC Name: 2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)acetic acid Traditional Name: 2-(10-keto-1,7-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)acetic acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4/c1-9-3-4-12-13(5-9)21-8-10-6-11(7-14(18)19)17(2)15(10)16(12)20/h3-6H,7-8H2,1-2H3,(H,18,19)