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

Systemtic Name: [(2R)-1-oxidanylidene-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [(1R)-2-keto-1-methyl-2-[[(1S)-1-phenylbutyl]amino]ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-3-7-17(15-8-5-4-6-9-15)21-20(24)14(2)27-19(23)13-11-16-10-12-18(28-16)22(25)26/h4-6,8-14,17H,3,7H2,1-2H3,(H,21,24)/b13-11+/t14-,17+/m1/s1