3-chloranyl-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-chloranyl-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-chloro-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-chloro-2-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-chloro-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-chloro-2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]benzoic acid Formula: C18H16ClNO5 MolecularWeight: 361.77634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=C(C=CC=C2Cl)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C=CC=C2Cl)C(=O)O)OC

InChI

InChI=1S/C18H16ClNO5/c1-24-14-8-6-11(10-15(14)25-2)7-9-16(21)20-17-12(18(22)23)4-3-5-13(17)19/h3-10H,1-2H3,(H,20,21)(H,22,23)/b9-7+