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

Systemtic Name: (E)-4-[3-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-hydroxy-2-oxo-4-[3-(p-tolylmethyl)-1H-pyrrol-2-yl]but-3-enoic acid CAS Name: (E)-4-hydroxy-4-[3-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-2-oxo-3-butenoic acid IUPAC Name: (E)-4-hydroxy-4-[3-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-2-oxobut-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-[3-(4-methylbenzyl)-1H-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)CC2=C(NC=C2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(NC=C2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C16H15NO4/c1-10-2-4-11(5-3-10)8-12-6-7-17-15(12)13(18)9-14(19)16(20)21/h2-7,9,17-18H,8H2,1H3,(H,20,21)/b13-9+