2-[[(E)-2-cyano-3-(4-methoxycarbonyl-5-methyl-furan-2-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-(4-methoxycarbonyl-5-methyl-furan-2-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(4-methoxycarbonyl-5-methyl-2-furyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-(4-methoxycarbonyl-5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(4-methoxycarbonyl-5-methylfuran-2-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(4-carbomethoxy-5-methyl-2-furyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C18H14N2O6 MolecularWeight: 354.31356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)C(=O)OC

InChI

InChI=1S/C18H14N2O6/c1-10-14(18(24)25-2)8-12(26-10)7-11(9-19)16(21)20-15-6-4-3-5-13(15)17(22)23/h3-8H,1-2H3,(H,20,21)(H,22,23)/b11-7+