[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)OC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O6/c1-13(18(23)21-15-6-4-3-5-7-15)28-19(24)14-8-9-16(20-10-11-27-2)17(12-14)22(25)26/h8-9,12-13,15,20H,3-7,10-11H2,1-2H3,(H,21,23)/t13-/m1/s1