3-[2,7-bis(oxidanylidene)azepan-1-yl]benzoic acid

Systemtic Name: 3-[2,7-bis(oxidanylidene)azepan-1-yl]benzoic acid Openeye Name: 3-(2,7-dioxoazepan-1-yl)benzoic acid CAS Name: 3-(2,7-dioxo-1-azepanyl)benzoic acid IUPAC Name: 3-(2,7-dioxoazepan-1-yl)benzoic acid Traditional Name: 3-(2,7-diketoazepan-1-yl)benzoic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4/c15-11-6-1-2-7-12(16)14(11)10-5-3-4-9(8-10)13(17)18/h3-5,8H,1-2,6-7H2,(H,17,18)