[(1R)-1-cyanoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [(1R)-1-cyanoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [(1R)-1-cyanoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [(1R)-1-cyanoethyl] ester Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O4/c1-9(8-13)18-12(15)7-4-10-2-5-11(6-3-10)14(16)17/h2-7,9H,1H3/b7-4+/t9-/m1/s1