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

Systemtic Name: methyl 3-(butan-2-ylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-nitro-5-(sec-butylcarbamoyl)benzoate CAS Name: 3-[(butan-2-ylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(butan-2-ylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-nitro-5-(sec-butylcarbamoyl)benzoic acid methyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-4-8(2)14-12(16)9-5-10(13(17)20-3)7-11(6-9)15(18)19/h5-8H,4H2,1-3H3,(H,14,16)