[2-oxidanylidene-2-(propylamino)ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-keto-2-(propylamino)ethyl] ester Formula: C13H17N3O5 MolecularWeight: 295.29118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-3-6-15-12(17)8-21-13(18)10-7-9(16(19)20)4-5-11(10)14-2/h4-5,7,14H,3,6,8H2,1-2H3,(H,15,17)