2-(4-chlorophenyl)-2-[(2-oxidanylidene-1,3-diazinan-1-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-(4-chlorophenyl)-2-[(2-oxidanylidene-1,3-diazinan-1-yl)carbonylamino]ethanoic acid Openeye Name: 2-(4-chlorophenyl)-2-[(2-oxohexahydropyrimidine-1-carbonyl)amino]acetic acid CAS Name: 2-(4-chlorophenyl)-2-[[oxo-(2-oxo-1,3-diazinan-1-yl)methyl]amino]acetic acid IUPAC Name: 2-(4-chlorophenyl)-2-[(2-oxo-1,3-diazinane-1-carbonyl)amino]acetic acid Traditional Name: 2-(4-chlorophenyl)-2-[(2-ketohexahydropyrimidine-1-carbonyl)amino]acetic acid Formula: C13H14ClN3O4 MolecularWeight: 311.72096

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)N(C1)C(=O)NC(C2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CNC(=O)N(C1)C(=O)NC(C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H14ClN3O4/c14-9-4-2-8(3-5-9)10(11(18)19)16-13(21)17-7-1-6-15-12(17)20/h2-5,10H,1,6-7H2,(H,15,20)(H,16,21)(H,18,19)