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

Systemtic Name: 4-[(4E)-4-[(4-methoxy-3-nitro-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(4-methoxy-3-nitro-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(4-methoxy-3-nitrophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(4-methoxy-3-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-5-keto-4-(4-methoxy-3-nitro-benzylidene)-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C19H15N3O6 MolecularWeight: 381.3389

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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)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)C(=O)O

InChI

InChI=1S/C19H15N3O6/c1-11-15(9-12-3-8-17(28-2)16(10-12)22(26)27)18(23)21(20-11)14-6-4-13(5-7-14)19(24)25/h3-10H,1-2H3,(H,24,25)/b15-9+