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

Systemtic Name: methyl 3-(2-methylbutan-2-ylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(1,1-dimethylpropylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(2-methylbutan-2-ylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(2-methylbutan-2-ylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(tert-amylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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