3-[[3-(5-bromanyl-2,4-diethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-(5-bromanyl-2,4-diethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(5-bromo-2,4-diethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(5-bromo-2,4-diethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(5-bromo-2,4-diethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(5-bromo-2,4-diethoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Br)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Br)OCC

InChI

InChI=1S/C21H19BrN2O5/c1-3-28-18-11-19(29-4-2)17(22)10-14(18)8-15(12-23)20(25)24-16-7-5-6-13(9-16)21(26)27/h5-11H,3-4H2,1-2H3,(H,24,25)(H,26,27)