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

Systemtic Name: 2-chloranyl-5-[(4Z)-3-methyl-4-[(3-nitrophenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[(4Z)-3-methyl-4-[(3-nitrophenyl)methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[(4Z)-3-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[(4Z)-3-methyl-4-[(3-nitrophenyl)methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[(4Z)-5-keto-3-methyl-4-(3-nitrobenzylidene)-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=CC(=CC=C2)[N+](=O)[O-])C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O5/c1-10-14(8-11-3-2-4-13(7-11)22(26)27)17(23)21(20-10)12-5-6-16(19)15(9-12)18(24)25/h2-9H,1H3,(H,24,25)/b14-8-