[(1S)-2-oxidanylidenecyclohexyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [(1S)-2-oxocyclohexyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H15NO7 MolecularWeight: 333.2928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C16H15NO7/c18-12-3-1-2-4-13(12)24-16(19)6-5-10-7-14-15(23-9-22-14)8-11(10)17(20)21/h5-8,13H,1-4,9H2/b6-5+/t13-/m0/s1