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

Systemtic Name: (E)-2-[(1-nitrocycloheptyl)methyl]-3-(4-nitrophenyl)prop-2-enal Openeye Name: (E)-2-[(1-nitrocycloheptyl)methyl]-3-(4-nitrophenyl)prop-2-enal CAS Name: (E)-2-[(1-nitrocycloheptyl)methyl]-3-(4-nitrophenyl)-2-propenal IUPAC Name: (E)-2-[(1-nitrocycloheptyl)methyl]-3-(4-nitrophenyl)prop-2-enal Traditional Name: (E)-2-[(1-nitrocycloheptyl)methyl]-3-(4-nitrophenyl)acrolein Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C=O)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)(C/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C=O)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O5/c20-13-15(11-14-5-7-16(8-6-14)18(21)22)12-17(19(23)24)9-3-1-2-4-10-17/h5-8,11,13H,1-4,9-10,12H2/b15-11+