2-[[(E)-2-cyano-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)acryloyl]amino]benzoic acid Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H16N2O6/c1-26-16-9-12(10-17-18(16)28-7-6-27-17)8-13(11-21)19(23)22-15-5-3-2-4-14(15)20(24)25/h2-5,8-10H,6-7H2,1H3,(H,22,23)(H,24,25)/b13-8+