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

Systemtic Name: (E)-4-oxidanyl-2-oxidanylidene-4-[4-(phenylmethyl)-1H-pyrrol-2-yl]but-3-enoic acid Openeye Name: (E)-4-(4-benzyl-1H-pyrrol-2-yl)-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-hydroxy-2-oxo-4-[4-(phenylmethyl)-1H-pyrrol-2-yl]-3-butenoic acid IUPAC Name: (E)-4-(4-benzyl-1H-pyrrol-2-yl)-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-(4-benzyl-1H-pyrrol-2-yl)-4-hydroxy-2-keto-but-3-enoic acid Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO4/c17-13(8-14(18)15(19)20)12-7-11(9-16-12)6-10-4-2-1-3-5-10/h1-5,7-9,16-17H,6H2,(H,19,20)/b13-8+