(E)-4-[5-[(4-aminophenyl)methyl]-1H-pyrazol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[5-[(4-aminophenyl)methyl]-1H-pyrazol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[5-[(4-aminophenyl)methyl]-1H-pyrazol-3-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[5-[(4-aminophenyl)methyl]-1H-pyrazol-3-yl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[5-[(4-aminophenyl)methyl]-1H-pyrazol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[5-(4-aminobenzyl)-1H-pyrazol-3-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC(=NN2)C(=CC(=O)C(=O)O)O)N

Isomeric SMILES

C1=CC(=CC=C1CC2=CC(=NN2)/C(=C\C(=O)C(=O)O)/O)N

InChI

InChI=1S/C14H13N3O4/c15-9-3-1-8(2-4-9)5-10-6-11(17-16-10)12(18)7-13(19)14(20)21/h1-4,6-7,18H,5,15H2,(H,16,17)(H,20,21)/b12-7+