[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 4-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 4-nitrobenzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C13H15N3O6 MolecularWeight: 309.2747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6/c1-2-7-14-13(19)15-11(17)8-22-12(18)9-3-5-10(6-4-9)16(20)21/h3-6H,2,7-8H2,1H3,(H2,14,15,17,19)