3-[(4-cyanophenyl)amino]-5-(hydroxymethyl)-2-methyl-terephthalic acid

Systemtic Name: 3-[(4-cyanophenyl)amino]-5-(hydroxymethyl)-2-methyl-terephthalic acid Openeye Name: 3-(4-cyanoanilino)-5-(hydroxymethyl)-2-methyl-terephthalic acid CAS Name: 3-(4-cyanoanilino)-5-(hydroxymethyl)-2-methylterephthalic acid IUPAC Name: 3-(4-cyanoanilino)-5-(hydroxymethyl)-2-methylterephthalic acid Traditional Name: 3-(4-cyanoanilino)-2-methyl-5-methylol-terephthalic acid Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)O)CO)C(=O)O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)O)CO)C(=O)O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H14N2O5/c1-9-13(16(21)22)6-11(8-20)14(17(23)24)15(9)19-12-4-2-10(7-18)3-5-12/h2-6,19-20H,8H2,1H3,(H,21,22)(H,23,24)