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

Systemtic Name: 3-[[2-cyano-3-[2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[2-(2-ethoxy-2-oxo-ethoxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[2-(2-ethoxy-2-oxoethoxy)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[2-(2-ethoxy-2-oxoethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[2-(2-ethoxy-2-keto-ethoxy)phenyl]acryloyl]amino]benzoic acid Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC=C1C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCOC(=O)COC1=CC=CC=C1C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C21H18N2O6/c1-2-28-19(24)13-29-18-9-4-3-6-14(18)10-16(12-22)20(25)23-17-8-5-7-15(11-17)21(26)27/h3-11H,2,13H2,1H3,(H,23,25)(H,26,27)