methyl 1-(2-nitro-1-phenyl-ethyl)cyclohexane-1-carboxylate

Systemtic Name: methyl 1-(2-nitro-1-phenyl-ethyl)cyclohexane-1-carboxylate Openeye Name: methyl 1-(2-nitro-1-phenyl-ethyl)cyclohexanecarboxylate CAS Name: 1-(2-nitro-1-phenylethyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-nitro-1-phenylethyl)cyclohexane-1-carboxylate Traditional Name: 1-(2-nitro-1-phenyl-ethyl)cyclohexanecarboxylic acid methyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)C(C[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1(CCCCC1)C(C[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C16H21NO4/c1-21-15(18)16(10-6-3-7-11-16)14(12-17(19)20)13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3