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

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

InChI

InChI=1S/C20H18N4O5/c1-12-16(10-13-4-9-17(22(2)3)18(11-13)24(28)29)19(25)23(21-12)15-7-5-14(6-8-15)20(26)27/h4-11H,1-3H3,(H,26,27)/b16-10-