potassium 2-(aminocarbonylamino)-3-(2,3-dimethyl-6-nitro-phenyl)propanoic acid cyanate

Systemtic Name: potassium 2-(aminocarbonylamino)-3-(2,3-dimethyl-6-nitro-phenyl)propanoic acid cyanate Openeye Name: potassium 3-(2,3-dimethyl-6-nitro-phenyl)-2-ureido-propanoic acid cyanate CAS Name: potassium 2-(carbamoylamino)-3-(2,3-dimethyl-6-nitrophenyl)propanoic acid cyanate IUPAC Name: potassium 2-(carbamoylamino)-3-(2,3-dimethyl-6-nitrophenyl)propanoic acid cyanate Traditional Name: potassium 3-(2,3-dimethyl-6-nitro-phenyl)-2-ureido-propionic acid cyanate Formula: C13H15KN4O6 MolecularWeight: 362.3797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])CC(C(=O)O)NC(=O)N)C.C(#N)[O-].[K+]

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])CC(C(=O)O)NC(=O)N)C.C(#N)[O-].[K+]

InChI

InChI=1S/C12H15N3O5.CHNO.K/c1-6-3-4-10(15(19)20)8(7(6)2)5-9(11(16)17)14-12(13)18;2-1-3;/h3-4,9H,5H2,1-2H3,(H,16,17)(H3,13,14,18);3H;/q;;+1/p-1