[(2S)-2-cyanopropyl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [(2S)-2-cyanopropyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [(2S)-2-cyanopropyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [(2S)-2-cyanopropyl] ester IUPAC Name: [(2S)-2-cyanopropyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [(2S)-2-cyanopropyl] ester Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4/c1-10(8-14)9-19-13(16)7-4-11-2-5-12(6-3-11)15(17)18/h2-7,10H,9H2,1H3/b7-4+/t10-/m0/s1