(E)-4-oxidanylidene-4-[(2-phenylpyrazol-3-yl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[(2-phenylpyrazol-3-yl)amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[(2-phenylpyrazol-3-yl)amino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[(2-phenyl-3-pyrazolyl)amino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[(2-phenylpyrazol-3-yl)amino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[(2-phenylpyrazol-3-yl)amino]but-2-enoic acid Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3/c17-12(6-7-13(18)19)15-11-8-9-14-16(11)10-4-2-1-3-5-10/h1-9H,(H,15,17)(H,18,19)/b7-6+