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

Systemtic Name: (E)-4-[4-[(4-aminophenyl)methyl]-1H-pyrrol-2-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[4-[(4-aminophenyl)methyl]-1H-pyrrol-2-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[4-[(4-aminophenyl)methyl]-1H-pyrrol-2-yl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[4-[(4-aminophenyl)methyl]-1H-pyrrol-2-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[4-(4-aminobenzyl)-1H-pyrrol-2-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CNC(=C2)C(=CC(=O)C(=O)O)O)N

Isomeric SMILES

C1=CC(=CC=C1CC2=CNC(=C2)/C(=C\C(=O)C(=O)O)/O)N

InChI

InChI=1S/C15H14N2O4/c16-11-3-1-9(2-4-11)5-10-6-12(17-8-10)13(18)7-14(19)15(20)21/h1-4,6-8,17-18H,5,16H2,(H,20,21)/b13-7+