(E)-N-(4-bromanyl-3-methyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(4-bromanyl-3-methyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(4-bromo-3-methyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(4-bromo-3-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(4-bromo-3-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(4-bromo-3-methyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C17H13BrN2O5 MolecularWeight: 405.19952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)Br

InChI

InChI=1S/C17H13BrN2O5/c1-10-6-12(3-4-13(10)18)19-17(21)5-2-11-7-15-16(25-9-24-15)8-14(11)20(22)23/h2-8H,9H2,1H3,(H,19,21)/b5-2+