(E)-6-[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]-2,4-bis(oxidanylidene)hex-5-enoic acid

Systemtic Name: (E)-6-[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]-2,4-bis(oxidanylidene)hex-5-enoic acid Openeye Name: (E)-6-[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]-2,4-dioxo-hex-5-enoic acid CAS Name: (E)-6-[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]-2,4-dioxo-5-hexenoic acid IUPAC Name: (E)-6-[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]-2,4-dioxohex-5-enoic acid Traditional Name: (E)-2,4-diketo-6-(1-m-anisylpyrrol-2-yl)hex-5-enoic acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=CC=C2C=CC(=O)CC(=O)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=CC=C2/C=C/C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C18H17NO5/c1-24-16-6-2-4-13(10-16)12-19-9-3-5-14(19)7-8-15(20)11-17(21)18(22)23/h2-10H,11-12H2,1H3,(H,22,23)/b8-7+