4-[2,7-bis(oxidanylidene)azepan-1-yl]-5-chloranyl-2-methoxy-benzoic acid

Systemtic Name: 4-[2,7-bis(oxidanylidene)azepan-1-yl]-5-chloranyl-2-methoxy-benzoic acid Openeye Name: 5-chloro-4-(2,7-dioxoazepan-1-yl)-2-methoxy-benzoic acid CAS Name: 5-chloro-4-(2,7-dioxo-1-azepanyl)-2-methoxybenzoic acid IUPAC Name: 5-chloro-4-(2,7-dioxoazepan-1-yl)-2-methoxybenzoic acid Traditional Name: 5-chloro-4-(2,7-diketoazepan-1-yl)-2-methoxy-benzoic acid Formula: C14H14ClNO5 MolecularWeight: 311.71766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)N2C(=O)CCCCC2=O

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)N2C(=O)CCCCC2=O

InChI

InChI=1S/C14H14ClNO5/c1-21-11-7-10(9(15)6-8(11)14(19)20)16-12(17)4-2-3-5-13(16)18/h6-7H,2-5H2,1H3,(H,19,20)