[(S)-cyano-(3-nitrophenyl)methyl] benzoate

Systemtic Name: [(S)-cyano-(3-nitrophenyl)methyl] benzoate Openeye Name: [(S)-cyano-(3-nitrophenyl)methyl] benzoate CAS Name: benzoic acid [(S)-cyano-(3-nitrophenyl)methyl] ester IUPAC Name: [(S)-cyano-(3-nitrophenyl)methyl] benzoate Traditional Name: benzoic acid [(S)-cyano-(3-nitrophenyl)methyl] ester Formula: C15H10N2O4 MolecularWeight: 282.2509

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C#N)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H10N2O4/c16-10-14(12-7-4-8-13(9-12)17(19)20)21-15(18)11-5-2-1-3-6-11/h1-9,14H/t14-/m1/s1