4-[4-(2,2-dicyanoethenyl)indol-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(2,2-dicyanoethenyl)indol-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(2,2-dicyanovinyl)indol-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(2,2-dicyanoethenyl)-1-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(2,2-dicyanoethenyl)indol-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(2,2-dicyanovinyl)indol-1-yl]-4-keto-butyric acid Formula: C16H11N3O3 MolecularWeight: 293.27684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CN(C2=C1)C(=O)CCC(=O)O)C=C(C#N)C#N

Isomeric SMILES

C1=CC(=C2C=CN(C2=C1)C(=O)CCC(=O)O)C=C(C#N)C#N

InChI

InChI=1S/C16H11N3O3/c17-9-11(10-18)8-12-2-1-3-14-13(12)6-7-19(14)15(20)4-5-16(21)22/h1-3,6-8H,4-5H2,(H,21,22)