3-[[3-chloranyl-4-(2-ethanoyl-4-oxidanyl-phenoxy)-5-methyl-phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[3-chloranyl-4-(2-ethanoyl-4-oxidanyl-phenoxy)-5-methyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(2-acetyl-4-hydroxy-phenoxy)-3-chloro-5-methyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-(2-acetyl-4-hydroxyphenoxy)-3-chloro-5-methylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-(2-acetyl-4-hydroxyphenoxy)-3-chloro-5-methylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-(2-acetyl-4-hydroxy-phenoxy)-3-chloro-5-methyl-anilino]-3-keto-propionic acid Formula: C18H16ClNO6 MolecularWeight: 377.77574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=C(C=C(C=C2)O)C(=O)C)Cl)NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=C(C=C(C=C2)O)C(=O)C)Cl)NC(=O)CC(=O)O

InChI

InChI=1S/C18H16ClNO6/c1-9-5-11(20-16(23)8-17(24)25)6-14(19)18(9)26-15-4-3-12(22)7-13(15)10(2)21/h3-7,22H,8H2,1-2H3,(H,20,23)(H,24,25)