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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [(1S)-2-(isopropylamino)-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-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C=CC1=CC=C(O1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)/C=C/C1=CC=C(O1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O6/c1-8(2)14-13(17)9(3)20-12(16)7-5-10-4-6-11(21-10)15(18)19/h4-9H,1-3H3,(H,14,17)/b7-5+/t9-/m0/s1