[(1S)-1-phenylethyl] 3,5-dinitrobenzoate

Systemtic Name: [(1S)-1-phenylethyl] 3,5-dinitrobenzoate Openeye Name: [(1S)-1-phenylethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1S)-1-phenylethyl] ester IUPAC Name: [(1S)-1-phenylethyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1S)-1-phenylethyl] ester Formula: C15H12N2O6 MolecularWeight: 316.26558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O6/c1-10(11-5-3-2-4-6-11)23-15(18)12-7-13(16(19)20)9-14(8-12)17(21)22/h2-10H,1H3/t10-/m0/s1