methyl 3-(3-methylbutylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(3-methylbutylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(isopentylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(3-methylbutylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(3-methylbutylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(isoamylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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