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

Systemtic Name: 2-chloranyl-3-[methyl-(3-oxidanylidene-2-propanoyl-pent-1-enyl)amino]benzoic acid Openeye Name: 2-chloro-3-[methyl-(3-oxo-2-propanoyl-pent-1-enyl)amino]benzoic acid CAS Name: 2-chloro-3-[methyl-[3-oxo-2-(1-oxopropyl)pent-1-enyl]amino]benzoic acid IUPAC Name: 2-chloro-3-[methyl-(3-oxo-2-propanoylpent-1-enyl)amino]benzoic acid Traditional Name: 2-chloro-3-[(3-keto-2-propionyl-pent-1-enyl)-methyl-amino]benzoic acid Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO4/c1-4-13(19)11(14(20)5-2)9-18(3)12-8-6-7-10(15(12)17)16(21)22/h6-9H,4-5H2,1-3H3,(H,21,22)