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

Systemtic Name: (E)-4-[1-[(4-aminophenyl)methyl]pyrrol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[1-[(4-aminophenyl)methyl]pyrrol-3-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[1-[(4-aminophenyl)methyl]-3-pyrrolyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[1-[(4-aminophenyl)methyl]pyrrol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[1-(4-aminobenzyl)pyrrol-3-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=C1CN2C=CC(=C2)C(=CC(=O)C(=O)O)O)N

Isomeric SMILES

C1=CC(=CC=C1CN2C=CC(=C2)/C(=C\C(=O)C(=O)O)/O)N

InChI

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