4-chloranyl-3-[[(E)-3-(3-methoxyphenyl)-2-methyl-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-chloranyl-3-[[(E)-3-(3-methoxyphenyl)-2-methyl-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-chloro-3-[[(E)-3-(3-methoxyphenyl)-2-methyl-prop-2-enoyl]amino]benzoic acid CAS Name: 4-chloro-3-[[(E)-3-(3-methoxyphenyl)-2-methyl-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[(E)-3-(3-methoxyphenyl)-2-methylprop-2-enoyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[(E)-3-(3-methoxyphenyl)-2-methyl-acryloyl]amino]benzoic acid Formula: C18H16ClNO4 MolecularWeight: 345.77694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=CC=C1)OC)C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO4/c1-11(8-12-4-3-5-14(9-12)24-2)17(21)20-16-10-13(18(22)23)6-7-15(16)19/h3-10H,1-2H3,(H,20,21)(H,22,23)/b11-8+