2-methyl-3-oxidanylidene-1,4-diazepane-1-carboxylic acid

Systemtic Name: 2-methyl-3-oxidanylidene-1,4-diazepane-1-carboxylic acid Openeye Name: 2-methyl-3-oxo-1,4-diazepane-1-carboxylic acid CAS Name: 2-methyl-3-oxo-1,4-diazepane-1-carboxylic acid IUPAC Name: 2-methyl-3-oxo-1,4-diazepane-1-carboxylic acid Traditional Name: 3-keto-2-methyl-1,4-diazepane-1-carboxylic acid Formula: C7H12N2O3 MolecularWeight: 172.18178

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NCCCN1C(=O)O

Isomeric SMILES

CC1C(=O)NCCCN1C(=O)O

InChI

InChI=1S/C7H12N2O3/c1-5-6(10)8-3-2-4-9(5)7(11)12/h5H,2-4H2,1H3,(H,8,10)(H,11,12)