2-[2,7-bis(oxidanylidene)azepan-1-yl]-4-chloranyl-benzoic acid

Systemtic Name: 2-[2,7-bis(oxidanylidene)azepan-1-yl]-4-chloranyl-benzoic acid Openeye Name: 4-chloro-2-(2,7-dioxoazepan-1-yl)benzoic acid CAS Name: 4-chloro-2-(2,7-dioxo-1-azepanyl)benzoic acid IUPAC Name: 4-chloro-2-(2,7-dioxoazepan-1-yl)benzoic acid Traditional Name: 4-chloro-2-(2,7-diketoazepan-1-yl)benzoic acid Formula: C13H12ClNO4 MolecularWeight: 281.69168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)C2=C(C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)C2=C(C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C13H12ClNO4/c14-8-5-6-9(13(18)19)10(7-8)15-11(16)3-1-2-4-12(15)17/h5-7H,1-4H2,(H,18,19)