[(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [(1S)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [(1S)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC1CCCCC1)OC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O6/c1-12(17(21)18-11-13-5-3-2-4-6-13)24-16(20)10-8-14-7-9-15(25-14)19(22)23/h7-10,12-13H,2-6,11H2,1H3,(H,18,21)/b10-8+/t12-/m0/s1