[2-[[(1S)-1-[2,4-bis(fluoranyl)phenyl]ethyl]amino]-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [2-[[(1S)-1-[2,4-bis(fluoranyl)phenyl]ethyl]amino]-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxo-ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C17H14F2N2O6 MolecularWeight: 380.299666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F2N2O6/c1-10(13-5-2-11(18)8-14(13)19)20-15(22)9-26-17(23)7-4-12-3-6-16(27-12)21(24)25/h2-8,10H,9H2,1H3,(H,20,22)/b7-4+/t10-/m0/s1