[(1R)-1-(3-nitrophenyl)ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O6/c1-10-6-7-13(9-15(10)18(22)23)16(19)24-11(2)12-4-3-5-14(8-12)17(20)21/h3-9,11H,1-2H3/t11-/m1/s1