2-[[(E)-3-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(3-hydroxy-2-methyl-5-methylol-4-pyridyl)acryloyl]amino]benzoic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=CC(=O)NC2=CC=CC=C2C(=O)O)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)CO

InChI

InChI=1S/C17H16N2O5/c1-10-16(22)12(11(9-20)8-18-10)6-7-15(21)19-14-5-3-2-4-13(14)17(23)24/h2-8,20,22H,9H2,1H3,(H,19,21)(H,23,24)/b7-6+