[(1S)-1-cyanoethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [(1S)-1-cyanoethyl] 4-methyl-3-nitro-benzoate Openeye Name: [(1S)-1-cyanoethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [(1S)-1-cyanoethyl] ester Formula: C11H10N2O4 MolecularWeight: 234.2081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O4/c1-7-3-4-9(5-10(7)13(15)16)11(14)17-8(2)6-12/h3-5,8H,1-2H3/t8-/m0/s1