4-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-isocyano-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-isocyano-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[(4-dimethylaminophenyl)methylene]-3-isocyano-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-isocyano-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[(4-dimethylaminophenyl)methylidene]-3-isocyano-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[4-(dimethylamino)benzylidene]-3-isocyano-5-keto-2-pyrazolin-1-yl]benzoic acid Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)[N+]#[C-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)[N+]#[C-]

InChI

InChI=1S/C20H16N4O3/c1-21-18-17(12-13-4-8-15(9-5-13)23(2)3)19(25)24(22-18)16-10-6-14(7-11-16)20(26)27/h4-12H,2-3H3,(H,26,27)/b17-12-