methyl 3-(2-methylpropylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(2-methylpropylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(isobutylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(2-methylpropylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(2-methylpropylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(isobutylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-8(2)7-14-12(16)9-4-10(13(17)20-3)6-11(5-9)15(18)19/h4-6,8H,7H2,1-3H3,(H,14,16)