3,4-dimethyl-2,7-bis(oxidanylidene)azepane-3-carboxylic acid

Systemtic Name: 3,4-dimethyl-2,7-bis(oxidanylidene)azepane-3-carboxylic acid Openeye Name: 3,4-dimethyl-2,7-dioxo-azepane-3-carboxylic acid CAS Name: 3,4-dimethyl-2,7-dioxo-3-azepanecarboxylic acid IUPAC Name: 3,4-dimethyl-2,7-dioxoazepane-3-carboxylic acid Traditional Name: 2,7-diketo-3,4-dimethyl-azepane-3-carboxylic acid Formula: C9H13NO4 MolecularWeight: 199.20382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)NC(=O)C1(C)C(=O)O

Isomeric SMILES

CC1CCC(=O)NC(=O)C1(C)C(=O)O

InChI

InChI=1S/C9H13NO4/c1-5-3-4-6(11)10-7(12)9(5,2)8(13)14/h5H,3-4H2,1-2H3,(H,13,14)(H,10,11,12)