methyl (3S)-5-[(3-methoxy-4-oxidanyl-phenyl)methyl]-2-methylidene-4-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: methyl (3S)-5-[(3-methoxy-4-oxidanyl-phenyl)methyl]-2-methylidene-4-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl (3S)-5-[(4-hydroxy-3-methoxy-phenyl)methyl]-2-methylene-4-oxo-pyrrole-3-carboxylate CAS Name: (3S)-5-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylene-4-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (3S)-5-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylidene-4-oxopyrrole-3-carboxylate Traditional Name: (3S)-4-keto-2-methylene-5-vanillyl-1-pyrroline-3-carboxylic acid methyl ester Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2=NC(=C)C(C2=O)C(=O)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=NC(=C)[C@@H](C2=O)C(=O)OC)O

InChI

InChI=1S/C15H15NO5/c1-8-13(15(19)21-3)14(18)10(16-8)6-9-4-5-11(17)12(7-9)20-2/h4-5,7,13,17H,1,6H2,2-3H3/t13-/m0/s1