methyl 3-[2-(cyclohexylamino)-1-oxidanyl-ethyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[2-(cyclohexylamino)-1-oxidanyl-ethyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-(cyclohexylamino)-1-hydroxy-ethyl]-5-nitro-benzoate CAS Name: 3-[2-(cyclohexylamino)-1-hydroxyethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(cyclohexylamino)-1-hydroxyethyl]-5-nitrobenzoate Traditional Name: 3-[2-(cyclohexylamino)-1-hydroxy-ethyl]-5-nitro-benzoic acid methyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(CNC2CCCCC2)O

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(CNC2CCCCC2)O

InChI

InChI=1S/C16H22N2O5/c1-23-16(20)12-7-11(8-14(9-12)18(21)22)15(19)10-17-13-5-3-2-4-6-13/h7-9,13,15,17,19H,2-6,10H2,1H3