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

Systemtic Name: (E)-4-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-hydroxy-2-oxo-4-[1-(p-tolylmethyl)pyrrol-2-yl]but-3-enoic acid CAS Name: (E)-4-hydroxy-4-[1-[(4-methylphenyl)methyl]-2-pyrrolyl]-2-oxo-3-butenoic acid IUPAC Name: (E)-4-hydroxy-4-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxobut-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-[1-(4-methylbenzyl)pyrrol-2-yl]but-3-enoic acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CC=C2C(=CC(=O)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CC=C2/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C16H15NO4/c1-11-4-6-12(7-5-11)10-17-8-2-3-13(17)14(18)9-15(19)16(20)21/h2-9,18H,10H2,1H3,(H,20,21)/b14-9+