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

Systemtic Name: 4-chloranyl-3-[[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-chloro-3-[[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-chloro-3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[(E)-3-(4-ethoxy-3-methoxy-phenyl)acryloyl]amino]benzoic acid Formula: C19H18ClNO5 MolecularWeight: 375.80292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO5/c1-3-26-16-8-4-12(10-17(16)25-2)5-9-18(22)21-15-11-13(19(23)24)6-7-14(15)20/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24)/b9-5+