[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-nitrobenzoate

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

Isomeric SMILES

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

InChI

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