2-[2,7-bis(oxidanylidene)azepan-1-yl]-5-methyl-benzoic acid

Systemtic Name: 2-[2,7-bis(oxidanylidene)azepan-1-yl]-5-methyl-benzoic acid Openeye Name: 2-(2,7-dioxoazepan-1-yl)-5-methyl-benzoic acid CAS Name: 2-(2,7-dioxo-1-azepanyl)-5-methylbenzoic acid IUPAC Name: 2-(2,7-dioxoazepan-1-yl)-5-methylbenzoic acid Traditional Name: 2-(2,7-diketoazepan-1-yl)-5-methyl-benzoic acid Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)CCCCC2=O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)CCCCC2=O)C(=O)O

InChI

InChI=1S/C14H15NO4/c1-9-6-7-11(10(8-9)14(18)19)15-12(16)4-2-3-5-13(15)17/h6-8H,2-5H2,1H3,(H,18,19)