methyl 3-nitro-4-(pentanoylamino)benzoate

Systemtic Name: methyl 3-nitro-4-(pentanoylamino)benzoate Openeye Name: methyl 3-nitro-4-(pentanoylamino)benzoate CAS Name: 3-nitro-4-(1-oxopentylamino)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(pentanoylamino)benzoate Traditional Name: 3-nitro-4-(valerylamino)benzoic acid methyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-3-4-5-12(16)14-10-7-6-9(13(17)20-2)8-11(10)15(18)19/h6-8H,3-5H2,1-2H3,(H,14,16)