methyl 3-(diethylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(diethylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(diethylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[diethylamino(oxo)methyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(diethylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(diethylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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