methyl 3-(4-bromophenyl)-2-[(1-nitrocyclohex-2-en-1-yl)methyl]-3-oxidanyl-propanoate

Systemtic Name: methyl 3-(4-bromophenyl)-2-[(1-nitrocyclohex-2-en-1-yl)methyl]-3-oxidanyl-propanoate Openeye Name: methyl 3-(4-bromophenyl)-3-hydroxy-2-[(1-nitrocyclohex-2-en-1-yl)methyl]propanoate CAS Name: 3-(4-bromophenyl)-3-hydroxy-2-[(1-nitro-1-cyclohex-2-enyl)methyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-bromophenyl)-3-hydroxy-2-[(1-nitrocyclohex-2-en-1-yl)methyl]propanoate Traditional Name: 3-(4-bromophenyl)-3-hydroxy-2-[(1-nitrocyclohex-2-en-1-yl)methyl]propionic acid methyl ester Formula: C17H20BrNO5 MolecularWeight: 398.2484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1(CCCC=C1)[N+](=O)[O-])C(C2=CC=C(C=C2)Br)O

Isomeric SMILES

COC(=O)C(CC1(CCCC=C1)[N+](=O)[O-])C(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C17H20BrNO5/c1-24-16(21)14(15(20)12-5-7-13(18)8-6-12)11-17(19(22)23)9-3-2-4-10-17/h3,5-9,14-15,20H,2,4,10-11H2,1H3