[2-oxidanylidene-2-[[(2R)-2-phenylpropyl]amino]ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-2-phenylpropyl]amino]ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-[[(2R)-2-phenylpropyl]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-[[(2R)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [2-keto-2-[[(2R)-2-phenylpropyl]amino]ethyl] ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C=CC1=CC=C(O1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C[C@@H](CNC(=O)COC(=O)/C=C/C1=CC=C(O1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H18N2O6/c1-13(14-5-3-2-4-6-14)11-19-16(21)12-25-18(22)10-8-15-7-9-17(26-15)20(23)24/h2-10,13H,11-12H2,1H3,(H,19,21)/b10-8+/t13-/m0/s1