ethyl 3-(butan-2-ylcarbamoyl)-5-nitro-benzoate

Systemtic Name: ethyl 3-(butan-2-ylcarbamoyl)-5-nitro-benzoate Openeye Name: ethyl 3-nitro-5-(sec-butylcarbamoyl)benzoate CAS Name: 3-[(butan-2-ylamino)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(butan-2-ylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-nitro-5-(sec-butylcarbamoyl)benzoic acid ethyl ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-4-9(3)15-13(17)10-6-11(14(18)21-5-2)8-12(7-10)16(19)20/h6-9H,4-5H2,1-3H3,(H,15,17)