4-[(3-isocyano-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoic acid

Systemtic Name: 4-[(3-isocyano-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoic acid Openeye Name: 4-[(3-isocyano-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzoic acid CAS Name: 4-[(3-isocyano-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzoic acid IUPAC Name: 4-[(3-isocyano-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoic acid Traditional Name: 4-[(3-isocyano-5-keto-1-phenyl-2-pyrazolin-4-yl)azo]benzoic acid Formula: C17H11N5O3 MolecularWeight: 333.30094

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

[C-]#[N+]C1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H11N5O3/c1-18-15-14(16(23)22(21-15)13-5-3-2-4-6-13)20-19-12-9-7-11(8-10-12)17(24)25/h2-10,14H,(H,24,25)