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

Systemtic Name: 3-[(4Z)-4-[[2-(dimethylamino)-5-nitro-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[[2-(dimethylamino)-5-nitro-phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[[2-(dimethylamino)-5-nitrophenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[[2-(dimethylamino)-5-nitrophenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-[2-(dimethylamino)-5-nitro-benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5/c1-12-17(11-14-10-16(24(28)29)7-8-18(14)22(2)3)19(25)23(21-12)15-6-4-5-13(9-15)20(26)27/h4-11H,1-3H3,(H,26,27)/b17-11-