5-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(4E)-4-[(4-dimethylaminophenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(4E)-4-[4-(dimethylamino)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]isophthalic acid Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)N(C)C)C3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H19N3O5/c1-12-18(8-13-4-6-16(7-5-13)23(2)3)19(25)24(22-12)17-10-14(20(26)27)9-15(11-17)21(28)29/h4-11H,1-3H3,(H,26,27)(H,28,29)/b18-8+