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

Systemtic Name: [2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [2-[[(1S)-1-(4-isobutylphenyl)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-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-[4-(2-methylpropyl)phenyl]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-(4-isobutylphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-14(2)12-16-4-6-17(7-5-16)15(3)22-19(24)13-28-21(25)11-9-18-8-10-20(29-18)23(26)27/h4-11,14-15H,12-13H2,1-3H3,(H,22,24)/b11-9+/t15-/m0/s1