5-(2-carboxyethyl)-7,7-dimethyl-6-oxidanylidene-3,4-dihydro-1,2,5-triazepine-3-carboxylic acid

Systemtic Name: 5-(2-carboxyethyl)-7,7-dimethyl-6-oxidanylidene-3,4-dihydro-1,2,5-triazepine-3-carboxylic acid Openeye Name: 5-(2-carboxyethyl)-7,7-dimethyl-6-oxo-3,4-dihydro-1,2,5-triazepine-3-carboxylic acid CAS Name: 5-(2-carboxyethyl)-7,7-dimethyl-6-oxo-3,4-dihydro-1,2,5-triazepine-3-carboxylic acid IUPAC Name: 5-(2-carboxyethyl)-7,7-dimethyl-6-oxo-3,4-dihydro-1,2,5-triazepine-3-carboxylic acid Traditional Name: 5-(2-carboxyethyl)-6-keto-7,7-dimethyl-3,4-dihydro-1,2,5-triazepine-3-carboxylic acid Formula: C10H15N3O5 MolecularWeight: 257.2432

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(CC(N=N1)C(=O)O)CCC(=O)O)C

Isomeric SMILES

CC1(C(=O)N(CC(N=N1)C(=O)O)CCC(=O)O)C

InChI

InChI=1S/C10H15N3O5/c1-10(2)9(18)13(4-3-7(14)15)5-6(8(16)17)11-12-10/h6H,3-5H2,1-2H3,(H,14,15)(H,16,17)