3-[4-(2,2-dicyanoethenyl)-3-(2-oxidanylidenechromen-3-yl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-(2,2-dicyanoethenyl)-3-(2-oxidanylidenechromen-3-yl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(2,2-dicyanovinyl)-3-(2-oxochromen-3-yl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(2,2-dicyanoethenyl)-3-(2-oxo-1-benzopyran-3-yl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(2,2-dicyanoethenyl)-3-(2-oxochromen-3-yl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(2,2-dicyanovinyl)-3-(2-ketochromen-3-yl)pyrazol-1-yl]propionic acid Formula: C19H12N4O4 MolecularWeight: 360.32298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C=C3C=C(C#N)C#N)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C=C3C=C(C#N)C#N)CCC(=O)O

InChI

InChI=1S/C19H12N4O4/c20-9-12(10-21)7-14-11-23(6-5-17(24)25)22-18(14)15-8-13-3-1-2-4-16(13)27-19(15)26/h1-4,7-8,11H,5-6H2,(H,24,25)