2,4-bis(chloranyl)-3-[(3-methyl-2-oxidanylidene-1,3-diazinan-1-yl)carbonylamino]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-3-[(3-methyl-2-oxidanylidene-1,3-diazinan-1-yl)carbonylamino]benzoic acid Openeye Name: 2,4-dichloro-3-[(3-methyl-2-oxo-hexahydropyrimidine-1-carbonyl)amino]benzoic acid CAS Name: 2,4-dichloro-3-[[(3-methyl-2-oxo-1,3-diazinan-1-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 2,4-dichloro-3-[(3-methyl-2-oxo-1,3-diazinane-1-carbonyl)amino]benzoic acid Traditional Name: 2,4-dichloro-3-[(2-keto-3-methyl-hexahydropyrimidine-1-carbonyl)amino]benzoic acid Formula: C13H13Cl2N3O4 MolecularWeight: 346.16602

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(C1=O)C(=O)NC2=C(C=CC(=C2Cl)C(=O)O)Cl

Isomeric SMILES

CN1CCCN(C1=O)C(=O)NC2=C(C=CC(=C2Cl)C(=O)O)Cl

InChI

InChI=1S/C13H13Cl2N3O4/c1-17-5-2-6-18(13(17)22)12(21)16-10-8(14)4-3-7(9(10)15)11(19)20/h3-4H,2,5-6H2,1H3,(H,16,21)(H,19,20)