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

Systemtic Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [(2R)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O7 MolecularWeight: 420.45622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C(=O)NCCC2=CCCCC2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)O[C@H](C)C(=O)NCCC2=CCCCC2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H28N2O7/c1-4-29-19-12-16(17(23(26)27)13-18(19)28-3)21(25)30-14(2)20(24)22-11-10-15-8-6-5-7-9-15/h8,12-14H,4-7,9-11H2,1-3H3,(H,22,24)/t14-/m1/s1