[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6/c1-3-7-15-14(20)16-11(18)8-23-13(19)10-6-4-5-9(2)12(10)17(21)22/h4-6H,3,7-8H2,1-2H3,(H2,15,16,18,20)