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

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-bromanyl-4-nitro-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-bromo-4-nitro-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-bromo-4-nitrophenyl)-2-cyano-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-bromo-4-nitrophenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-bromo-4-nitro-phenyl)-2-cyano-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=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

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