(E)-4-oxidanylidene-4-[(1-phenylpyrazol-4-yl)methylamino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[(1-phenylpyrazol-4-yl)methylamino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[(1-phenylpyrazol-4-yl)methylamino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[(1-phenyl-4-pyrazolyl)methylamino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[(1-phenylpyrazol-4-yl)methylamino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[(1-phenylpyrazol-4-yl)methylamino]but-2-enoic acid Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H13N3O3/c18-13(6-7-14(19)20)15-8-11-9-16-17(10-11)12-4-2-1-3-5-12/h1-7,9-10H,8H2,(H,15,18)(H,19,20)/b7-6+