2-[[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)acryloyl]amino]terephthalic acid Formula: C19H16ClNO7 MolecularWeight: 405.78584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Cl)OC

InChI

InChI=1S/C19H16ClNO7/c1-27-15-8-10(7-13(20)17(15)28-2)3-6-16(22)21-14-9-11(18(23)24)4-5-12(14)19(25)26/h3-9H,1-2H3,(H,21,22)(H,23,24)(H,25,26)/b6-3+