2-chloranyl-5-[(4Z)-4-[(4-methoxy-3-nitro-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(4Z)-4-[(4-methoxy-3-nitro-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[(4Z)-4-[(4-methoxy-3-nitro-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[(4Z)-4-[(4-methoxy-3-nitrophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[(4Z)-4-[(4-methoxy-3-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[(4Z)-5-keto-4-(4-methoxy-3-nitro-benzylidene)-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C19H14ClN3O6 MolecularWeight: 415.78396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H14ClN3O6/c1-10-13(7-11-3-6-17(29-2)16(8-11)23(27)28)18(24)22(21-10)12-4-5-15(20)14(9-12)19(25)26/h3-9H,1-2H3,(H,25,26)/b13-7-