[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-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=CC(=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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