2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-acryloyl]amino]benzoic acid Formula: C18H12N2O5 MolecularWeight: 336.29828

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H12N2O5/c19-9-12(7-11-5-6-15-16(8-11)25-10-24-15)17(21)20-14-4-2-1-3-13(14)18(22)23/h1-8H,10H2,(H,20,21)(H,22,23)/b12-7+