3-[[3-[3-chloranyl-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-[3-chloranyl-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[4-(2-anilino-2-oxo-ethoxy)-3-chloro-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[4-(2-anilino-2-keto-ethoxy)-3-chloro-phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C25H18ClN3O5 MolecularWeight: 475.88052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C25H18ClN3O5/c26-21-12-16(9-10-22(21)34-15-23(30)28-19-6-2-1-3-7-19)11-18(14-27)24(31)29-20-8-4-5-17(13-20)25(32)33/h1-13H,15H2,(H,28,30)(H,29,31)(H,32,33)