ethyl 3-(butanoylamino)-4-nitro-benzoate

Systemtic Name: ethyl 3-(butanoylamino)-4-nitro-benzoate Openeye Name: ethyl 3-(butanoylamino)-4-nitro-benzoate CAS Name: 4-nitro-3-(1-oxobutylamino)benzoic acid ethyl ester IUPAC Name: ethyl 3-(butanoylamino)-4-nitrobenzoate Traditional Name: 3-butyramido-4-nitro-benzoic acid ethyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=CC(=C1)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=C(C=CC(=C1)C(=O)OCC)[N+](=O)[O-]

InChI

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