methyl 3-nitro-5-(propylcarbamoyl)benzoate

Systemtic Name: methyl 3-nitro-5-(propylcarbamoyl)benzoate Openeye Name: methyl 3-nitro-5-(propylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo(propylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(propylcarbamoyl)benzoate Traditional Name: 3-nitro-5-(propylcarbamoyl)benzoic acid methyl ester Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-3-4-13-11(15)8-5-9(12(16)19-2)7-10(6-8)14(17)18/h5-7H,3-4H2,1-2H3,(H,13,15)