[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl] ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6/c1-12(13-5-3-2-4-6-13)18-15(20)11-24-17(21)10-8-14-7-9-16(25-14)19(22)23/h2-10,12H,11H2,1H3,(H,18,20)/b10-8+/t12-/m0/s1