4-[(2E)-2-[3-(4-nitrophenyl)-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene]hydrazinyl]benzoate

Systemtic Name: 4-[(2E)-2-[3-(4-nitrophenyl)-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene]hydrazinyl]benzoate Openeye Name: 4-[(2E)-2-[3-(4-nitrophenyl)-5-oxo-1-phenyl-pyrazol-4-ylidene]hydrazino]benzoate CAS Name: 4-[(2E)-2-[3-(4-nitrophenyl)-5-oxo-1-phenyl-4-pyrazolylidene]hydrazinyl]benzoate IUPAC Name: 4-[(2E)-2-[3-(4-nitrophenyl)-5-oxo-1-phenylpyrazol-4-ylidene]hydrazinyl]benzoate Traditional Name: 4-[(N'E)-N'-[5-keto-3-(4-nitrophenyl)-1-phenyl-2-pyrazolin-4-ylidene]hydrazino]benzoate Formula: C22H14N5O5- MolecularWeight: 428.37706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=NNC3=CC=C(C=C3)C(=O)[O-])C(=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=N/NC3=CC=C(C=C3)C(=O)[O-])/C(=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O5/c28-21-20(24-23-16-10-6-15(7-11-16)22(29)30)19(14-8-12-18(13-9-14)27(31)32)25-26(21)17-4-2-1-3-5-17/h1-13,23H,(H,29,30)/p-1/b24-20+