5-[2,7-bis(oxidanylidene)azepan-1-yl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[2,7-bis(oxidanylidene)azepan-1-yl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-(2,7-dioxoazepan-1-yl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-(2,7-dioxo-1-azepanyl)-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(2,7-dioxoazepan-1-yl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(2,7-diketoazepan-1-yl)-1-methyl-pyrazole-4-carboxylic acid Formula: C11H13N3O4 MolecularWeight: 251.23862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)N2C(=O)CCCCC2=O

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)N2C(=O)CCCCC2=O

InChI

InChI=1S/C11H13N3O4/c1-13-10(7(6-12-13)11(17)18)14-8(15)4-2-3-5-9(14)16/h6H,2-5H2,1H3,(H,17,18)