[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=[N+](C=C1)[O-]

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)C1=CC=[N+](C=C1)[O-]

InChI

InChI=1S/C12H15N3O5/c1-7(2)9(10(16)14-12(13)18)20-11(17)8-3-5-15(19)6-4-8/h3-7,9H,1-2H3,(H3,13,14,16,18)/t9-/m1/s1