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

Systemtic Name: 3-[[3-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[4-(2-amino-2-oxo-ethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[4-(2-amino-2-keto-ethoxy)phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C19H15N3O5 MolecularWeight: 365.3395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC(=O)N)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC(=O)N)C#N)C(=O)O

InChI

InChI=1S/C19H15N3O5/c20-10-14(8-12-4-6-16(7-5-12)27-11-17(21)23)18(24)22-15-3-1-2-13(9-15)19(25)26/h1-9H,11H2,(H2,21,23)(H,22,24)(H,25,26)