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

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H16N4O6 MolecularWeight: 324.28934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O6/c1-3-15-13(20)16-11(18)7(2)23-12(19)9-5-4-8(17(21)22)6-10(9)14/h4-7H,3,14H2,1-2H3,(H2,15,16,18,20)/t7-/m0/s1