(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(4-nitrophenyl)acrylamide Formula: C17H10BrN3O5 MolecularWeight: 416.1824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10BrN3O5/c18-14-7-16-15(25-9-26-16)6-10(14)5-11(8-19)17(22)20-12-1-3-13(4-2-12)21(23)24/h1-7H,9H2,(H,20,22)/b11-5+