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

Systemtic Name: 3-[(4Z)-4-[(2-chloranyl-5-nitro-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(2-chloro-5-nitro-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(2-chloro-5-nitrophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(2-chloro-5-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-(2-chloro-5-nitro-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C18H12ClN3O5 MolecularWeight: 385.75798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O5/c1-10-15(9-12-8-14(22(26)27)5-6-16(12)19)17(23)21(20-10)13-4-2-3-11(7-13)18(24)25/h2-9H,1H3,(H,24,25)/b15-9-