(E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-benzyl-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(\C#N)/C(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5/c19-9-14(18(22)20-10-12-4-2-1-3-5-12)6-13-7-16-17(26-11-25-16)8-15(13)21(23)24/h1-8H,10-11H2,(H,20,22)/b14-6+