4-[(4-chloranyl-2-nitro-phenyl)diazenyl]-5-oxidanylidene-1-phenyl-4H-pyrazole-3-carboxylic acid

Systemtic Name: 4-[(4-chloranyl-2-nitro-phenyl)diazenyl]-5-oxidanylidene-1-phenyl-4H-pyrazole-3-carboxylic acid Openeye Name: 4-(4-chloro-2-nitro-phenyl)azo-5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid CAS Name: 4-(4-chloro-2-nitrophenyl)azo-5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid IUPAC Name: 4-[(4-chloro-2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid Traditional Name: 4-(4-chloro-2-nitro-phenyl)azo-5-keto-1-phenyl-2-pyrazoline-3-carboxylic acid Formula: C16H10ClN5O5 MolecularWeight: 387.7341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN5O5/c17-9-6-7-11(12(8-9)22(26)27)18-19-13-14(16(24)25)20-21(15(13)23)10-4-2-1-3-5-10/h1-8,13H,(H,24,25)