[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H16N4O6 MolecularWeight: 324.28934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O6/c1-7(2)15-13(20)16-11(18)6-23-12(19)9-5-8(17(21)22)3-4-10(9)14/h3-5,7H,6,14H2,1-2H3,(H2,15,16,18,20)