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

Systemtic Name: 2-chloranyl-5-[(4Z)-4-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[(4Z)-4-[(4,5-dimethoxy-2-nitro-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[(4Z)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[(4Z)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[(4Z)-4-(4,5-dimethoxy-2-nitro-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C20H16ClN3O7 MolecularWeight: 445.80994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O7/c1-10-13(6-11-7-17(30-2)18(31-3)9-16(11)24(28)29)19(25)23(22-10)12-4-5-15(21)14(8-12)20(26)27/h4-9H,1-3H3,(H,26,27)/b13-6-