4-[(2E,4E)-5-(4-dimethylaminophenyl)-2-isocyano-penta-2,4-dienoyl]benzoic acid

Systemtic Name: 4-[(2E,4E)-5-(4-dimethylaminophenyl)-2-isocyano-penta-2,4-dienoyl]benzoic acid Openeye Name: 4-[(2E,4E)-5-(4-dimethylaminophenyl)-2-isocyano-penta-2,4-dienoyl]benzoic acid CAS Name: 4-[(2E,4E)-5-(4-dimethylaminophenyl)-2-isocyano-1-oxopenta-2,4-dienyl]benzoic acid IUPAC Name: 4-[(2E,4E)-5-(4-dimethylaminophenyl)-2-isocyanopenta-2,4-dienoyl]benzoic acid Traditional Name: 4-[(2E,4E)-5-(4-dimethylaminophenyl)-2-isocyano-penta-2,4-dienoyl]benzoic acid Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3/c1-22-19(20(24)16-9-11-17(12-10-16)21(25)26)6-4-5-15-7-13-18(14-8-15)23(2)3/h4-14H,2-3H3,(H,25,26)/b5-4+,19-6+