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

Systemtic Name: 2-[2,7-bis(oxidanylidene)azepan-1-yl]-3-methyl-benzoic acid Openeye Name: 2-(2,7-dioxoazepan-1-yl)-3-methyl-benzoic acid CAS Name: 2-(2,7-dioxo-1-azepanyl)-3-methylbenzoic acid IUPAC Name: 2-(2,7-dioxoazepan-1-yl)-3-methylbenzoic acid Traditional Name: 2-(2,7-diketoazepan-1-yl)-3-methyl-benzoic acid Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N2C(=O)CCCCC2=O)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1N2C(=O)CCCCC2=O)C(=O)O

InChI

InChI=1S/C14H15NO4/c1-9-5-4-6-10(14(18)19)13(9)15-11(16)7-2-3-8-12(15)17/h4-6H,2-3,7-8H2,1H3,(H,18,19)