methyl 3-nitro-4-(2-propoxyethanoylamino)benzoate

Systemtic Name: methyl 3-nitro-4-(2-propoxyethanoylamino)benzoate Openeye Name: methyl 3-nitro-4-[(2-propoxyacetyl)amino]benzoate CAS Name: 3-nitro-4-[(1-oxo-2-propoxyethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[(2-propoxyacetyl)amino]benzoate Traditional Name: 3-nitro-4-[(2-propoxyacetyl)amino]benzoic acid methyl ester Formula: C13H16N2O6 MolecularWeight: 296.27594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOCC(=O)NC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCOCC(=O)NC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O6/c1-3-6-21-8-12(16)14-10-5-4-9(13(17)20-2)7-11(10)15(18)19/h4-5,7H,3,6,8H2,1-2H3,(H,14,16)