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

Systemtic Name: 2-[[(E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)acryloyl]amino]terephthalic acid Formula: C20H18ClNO7 MolecularWeight: 419.81242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Cl)OC

InChI

InChI=1S/C20H18ClNO7/c1-3-29-16-9-11(8-14(21)18(16)28-2)4-7-17(23)22-15-10-12(19(24)25)5-6-13(15)20(26)27/h4-10H,3H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)/b7-4+