2-[[6-[(2-carboxy-4-cyano-phenyl)amino]-6-oxidanylidene-hexanoyl]amino]-5-cyano-benzoic acid

Systemtic Name: 2-[[6-[(2-carboxy-4-cyano-phenyl)amino]-6-oxidanylidene-hexanoyl]amino]-5-cyano-benzoic acid Openeye Name: 2-[[6-(2-carboxy-4-cyano-anilino)-6-oxo-hexanoyl]amino]-5-cyano-benzoic acid CAS Name: 2-[[6-(2-carboxy-4-cyanoanilino)-1,6-dioxohexyl]amino]-5-cyanobenzoic acid IUPAC Name: 2-[[6-(2-carboxy-4-cyanoanilino)-6-oxohexanoyl]amino]-5-cyanobenzoic acid Traditional Name: 2-[[6-(2-carboxy-4-cyano-anilino)-6-keto-hexanoyl]amino]-5-cyano-benzoic acid Formula: C22H18N4O6 MolecularWeight: 434.40152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)C(=O)O)NC(=O)CCCCC(=O)NC2=C(C=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)C(=O)O)NC(=O)CCCCC(=O)NC2=C(C=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C22H18N4O6/c23-11-13-5-7-17(15(9-13)21(29)30)25-19(27)3-1-2-4-20(28)26-18-8-6-14(12-24)10-16(18)22(31)32/h5-10H,1-4H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)