(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide Openeye Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]-2-propenamide IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]acrylamide Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5/c1-12(13-5-3-2-4-6-13)19-18(21)8-7-14-9-16-17(25-11-24-16)10-15(14)20(22)23/h2-10,12H,11H2,1H3,(H,19,21)/b8-7+/t12-/m1/s1