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

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide Openeye Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-pyridylmethyl)prop-2-enamide CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-pyridylmethyl)acrylamide Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)NCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)NCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5/c20-16(18-9-12-3-1-2-6-17-12)5-4-11-7-14-15(24-10-23-14)8-13(11)19(21)22/h1-8H,9-10H2,(H,18,20)/b5-4+