2-chloranyl-3-[methyl-[4-methyl-2-(2-methylpropanoyl)-3-oxidanylidene-pent-1-enyl]amino]benzoic acid

Systemtic Name: 2-chloranyl-3-[methyl-[4-methyl-2-(2-methylpropanoyl)-3-oxidanylidene-pent-1-enyl]amino]benzoic acid Openeye Name: 2-chloro-3-[methyl-[4-methyl-2-(2-methylpropanoyl)-3-oxo-pent-1-enyl]amino]benzoic acid CAS Name: 2-chloro-3-[methyl-[4-methyl-2-(2-methyl-1-oxopropyl)-3-oxopent-1-enyl]amino]benzoic acid IUPAC Name: 2-chloro-3-[methyl-[4-methyl-2-(2-methylpropanoyl)-3-oxopent-1-enyl]amino]benzoic acid Traditional Name: 2-chloro-3-[(2-isobutyryl-3-keto-4-methyl-pent-1-enyl)-methyl-amino]benzoic acid Formula: C18H22ClNO4 MolecularWeight: 351.82458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(=CN(C)C1=CC=CC(=C1Cl)C(=O)O)C(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)C(=CN(C)C1=CC=CC(=C1Cl)C(=O)O)C(=O)C(C)C

InChI

InChI=1S/C18H22ClNO4/c1-10(2)16(21)13(17(22)11(3)4)9-20(5)14-8-6-7-12(15(14)19)18(23)24/h6-11H,1-5H3,(H,23,24)