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

Systemtic Name: 4-chloranyl-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-chloro-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-chloro-2-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-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(=C2)Cl)C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO5/c1-24-15-7-3-11(9-16(15)25-2)4-8-17(21)20-14-10-12(19)5-6-13(14)18(22)23/h3-10H,1-2H3,(H,20,21)(H,22,23)/b8-4+