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

Systemtic Name: ethyl 3-(3-methylbutylcarbamoyl)-5-nitro-benzoate Openeye Name: ethyl 3-(isopentylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(3-methylbutylamino)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(3-methylbutylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(isoamylcarbamoyl)-5-nitro-benzoic acid ethyl ester Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O5/c1-4-22-15(19)12-7-11(8-13(9-12)17(20)21)14(18)16-6-5-10(2)3/h7-10H,4-6H2,1-3H3,(H,16,18)