[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O7 MolecularWeight: 380.39236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2CCCC2)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O[C@H](C)C(=O)NC2CCCC2)OC

InChI

InChI=1S/C18H24N2O7/c1-4-26-16-10-14(20(23)24)13(9-15(16)25-3)18(22)27-11(2)17(21)19-12-7-5-6-8-12/h9-12H,4-8H2,1-3H3,(H,19,21)/t11-/m1/s1