(E)-N-[4-(cyanomethyl)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-[4-(cyanomethyl)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[4-(cyanomethyl)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[4-(cyanomethyl)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[4-(cyanomethyl)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[4-(cyanomethyl)phenyl]-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=CC(=O)NC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)NC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5/c19-8-7-12-1-4-14(5-2-12)20-18(22)6-3-13-9-16-17(26-11-25-16)10-15(13)21(23)24/h1-6,9-10H,7,11H2,(H,20,22)/b6-3+