[(2S)-butan-2-yl] (E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoate

Systemtic Name: [(2S)-butan-2-yl] (E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoate Openeye Name: [(1S)-1-methylpropyl] (E)-2-cyano-3-[5-(2-nitrophenyl)-2-furyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[5-(2-nitrophenyl)-2-furanyl]-2-propenoic acid [(2S)-butan-2-yl] ester IUPAC Name: [(2S)-butan-2-yl] (E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[5-(2-nitrophenyl)-2-furyl]acrylic acid [(1S)-1-methylpropyl] ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C(=CC1=CC=C(O1)C2=CC=CC=C2[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5/c1-3-12(2)24-18(21)13(11-19)10-14-8-9-17(25-14)15-6-4-5-7-16(15)20(22)23/h4-10,12H,3H2,1-2H3/b13-10+/t12-/m0/s1