[(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C11H12N4O6 MolecularWeight: 296.23618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O6/c1-5(9(16)14-11(13)18)21-10(17)7-3-2-6(15(19)20)4-8(7)12/h2-5H,12H2,1H3,(H3,13,14,16,18)/t5-/m0/s1