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

Systemtic Name: (E)-N-(3-bromophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(3-bromophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(3-bromophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(3-bromophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(3-bromophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C16H11BrN2O5 MolecularWeight: 391.17294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN2O5/c17-11-2-1-3-12(7-11)18-16(20)5-4-10-6-14-15(24-9-23-14)8-13(10)19(21)22/h1-8H,9H2,(H,18,20)/b5-4+