1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylic acid

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylic acid Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-6-keto-4,5-dihydropyridazine-3-carboxylic acid Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)CCC(=N2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)CCC(=N2)C(=O)O

InChI

InChI=1S/C13H19N3O4/c17-11-6-5-10(13(19)20)14-16(11)9-12(18)15-7-3-1-2-4-8-15/h1-9H2,(H,19,20)