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

Systemtic Name: 2-chloranyl-5-[(4Z)-4-[(4-chloranyl-3-nitro-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[(4Z)-4-[(4-chloro-3-nitro-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[(4Z)-4-[(4-chloro-3-nitrophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[(4Z)-4-[(4-chloro-3-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[(4Z)-4-(4-chloro-3-nitro-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C18H11Cl2N3O5 MolecularWeight: 420.20304

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H11Cl2N3O5/c1-9-12(6-10-2-4-15(20)16(7-10)23(27)28)17(24)22(21-9)11-3-5-14(19)13(8-11)18(25)26/h2-8H,1H3,(H,25,26)/b12-6-