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

Systemtic Name: ethyl 3-(hexylcarbamoyl)-5-nitro-benzoate Openeye Name: ethyl 3-(hexylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(hexylamino)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(hexylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(hexylcarbamoyl)-5-nitro-benzoic acid ethyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-3-5-6-7-8-17-15(19)12-9-13(16(20)23-4-2)11-14(10-12)18(21)22/h9-11H,3-8H2,1-2H3,(H,17,19)