ethyl 3-(butylcarbamoyl)-5-nitro-benzoate

Systemtic Name: ethyl 3-(butylcarbamoyl)-5-nitro-benzoate Openeye Name: ethyl 3-(butylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[butylamino(oxo)methyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(butylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(butylcarbamoyl)-5-nitro-benzoic acid ethyl ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-3-5-6-15-13(17)10-7-11(14(18)21-4-2)9-12(8-10)16(19)20/h7-9H,3-6H2,1-2H3,(H,15,17)