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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-3-8-14-13(17)9(2)20-12(16)7-5-10-4-6-11(21-10)15(18)19/h4-7,9H,3,8H2,1-2H3,(H,14,17)/b7-5+/t9-/m0/s1