ethyl 3-nitro-5-(propylcarbamoyl)benzoate

Systemtic Name: ethyl 3-nitro-5-(propylcarbamoyl)benzoate Openeye Name: ethyl 3-nitro-5-(propylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo(propylamino)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-(propylcarbamoyl)benzoate Traditional Name: 3-nitro-5-(propylcarbamoyl)benzoic acid ethyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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