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

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-cyano-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-cyano-acryloyl]amino]benzoate Formula: C18H11N2O5- MolecularWeight: 335.29034

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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)/p-1