2-[1-(nitromethyl)cyclohexyl]-3-phenyl-propanoate

Systemtic Name: 2-[1-(nitromethyl)cyclohexyl]-3-phenyl-propanoate Openeye Name: 2-[1-(nitromethyl)cyclohexyl]-3-phenyl-propanoate CAS Name: 2-[1-(nitromethyl)cyclohexyl]-3-phenylpropanoate IUPAC Name: 2-[1-(nitromethyl)cyclohexyl]-3-phenylpropanoate Traditional Name: 2-[1-(nitromethyl)cyclohexyl]-3-phenyl-propionate Formula: C16H20NO4- MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C[N+](=O)[O-])C(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)(C[N+](=O)[O-])C(CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H21NO4/c18-15(19)14(11-13-7-3-1-4-8-13)16(12-17(20)21)9-5-2-6-10-16/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,18,19)/p-1