(E)-2-[(1-nitrocyclohexyl)methyl]-3-(4-nitrophenyl)prop-2-enal

Systemtic Name: (E)-2-[(1-nitrocyclohexyl)methyl]-3-(4-nitrophenyl)prop-2-enal Openeye Name: (E)-2-[(1-nitrocyclohexyl)methyl]-3-(4-nitrophenyl)prop-2-enal CAS Name: (E)-2-[(1-nitrocyclohexyl)methyl]-3-(4-nitrophenyl)-2-propenal IUPAC Name: (E)-2-[(1-nitrocyclohexyl)methyl]-3-(4-nitrophenyl)prop-2-enal Traditional Name: (E)-2-[(1-nitrocyclohexyl)methyl]-3-(4-nitrophenyl)acrolein Formula: C16H18N2O5 MolecularWeight: 318.32452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5/c19-12-14(10-13-4-6-15(7-5-13)17(20)21)11-16(18(22)23)8-2-1-3-9-16/h4-7,10,12H,1-3,8-9,11H2/b14-10+