[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-chloranyl-2-nitro-benzoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C13H14ClN3O6 MolecularWeight: 343.71976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O6/c1-6(2)10(11(18)16-13(15)20)23-12(19)8-4-3-7(14)5-9(8)17(21)22/h3-6,10H,1-2H3,(H3,15,16,18,20)/t10-/m0/s1