(E)-4-[4-[(4-methoxyphenyl)methyl]-1H-pyrrol-2-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[4-[(4-methoxyphenyl)methyl]-1H-pyrrol-2-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-hydroxy-4-[4-[(4-methoxyphenyl)methyl]-1H-pyrrol-2-yl]-2-oxo-but-3-enoic acid CAS Name: (E)-4-hydroxy-4-[4-[(4-methoxyphenyl)methyl]-1H-pyrrol-2-yl]-2-oxo-3-butenoic acid IUPAC Name: (E)-4-hydroxy-4-[4-[(4-methoxyphenyl)methyl]-1H-pyrrol-2-yl]-2-oxobut-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-(4-p-anisyl-1H-pyrrol-2-yl)but-3-enoic acid Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=CNC(=C2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=CNC(=C2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C16H15NO5/c1-22-12-4-2-10(3-5-12)6-11-7-13(17-9-11)14(18)8-15(19)16(20)21/h2-5,7-9,17-18H,6H2,1H3,(H,20,21)/b14-8+