3-[[3-[3-bromanyl-5-chloranyl-4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-[3-bromanyl-5-chloranyl-4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[3-bromo-5-chloro-4-(2-methoxy-2-oxo-ethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[3-bromo-5-chloro-4-(2-methoxy-2-oxoethoxy)phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[3-bromo-5-chloro-4-(2-methoxy-2-oxoethoxy)phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[3-bromo-5-chloro-4-(2-keto-2-methoxy-ethoxy)phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C20H14BrClN2O6 MolecularWeight: 493.69196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Cl

Isomeric SMILES

COC(=O)COC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C20H14BrClN2O6/c1-29-17(25)10-30-18-15(21)6-11(7-16(18)22)5-13(9-23)19(26)24-14-4-2-3-12(8-14)20(27)28/h2-8H,10H2,1H3,(H,24,26)(H,27,28)