3-[4-[[(E)-4-oxidanidyl-4-oxidanylidene-but-2-enoyl]amino]phenyl]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-[4-[[(E)-4-oxidanidyl-4-oxidanylidene-but-2-enoyl]amino]phenyl]-1-phenyl-pyrazole-4-carboxylate Openeye Name: 3-[4-[[(E)-4-oxido-4-oxo-but-2-enoyl]amino]phenyl]-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-[4-[[(E)-4-oxido-1,4-dioxobut-2-enyl]amino]phenyl]-1-phenyl-4-pyrazolecarboxylate IUPAC Name: 3-[4-[[(E)-4-oxido-4-oxobut-2-enoyl]amino]phenyl]-1-phenylpyrazole-4-carboxylate Traditional Name: 3-[4-[[(E)-4-keto-4-oxido-but-2-enoyl]amino]phenyl]-1-phenyl-pyrazole-4-carboxylate Formula: C20H13N3O5-2 MolecularWeight: 375.33432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)NC(=O)C=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)NC(=O)/C=C/C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H15N3O5/c24-17(10-11-18(25)26)21-14-8-6-13(7-9-14)19-16(20(27)28)12-23(22-19)15-4-2-1-3-5-15/h1-12H,(H,21,24)(H,25,26)(H,27,28)/p-2/b11-10+