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

Systemtic Name: methyl 3-(hexylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(hexylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(hexylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(hexylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(hexylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5/c1-3-4-5-6-7-16-14(18)11-8-12(15(19)22-2)10-13(9-11)17(20)21/h8-10H,3-7H2,1-2H3,(H,16,18)