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

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

C=CCNC(=O)/C=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C13H12N2O5/c1-2-5-14-13(16)4-3-9-6-11-12(20-8-19-11)7-10(9)15(17)18/h2-4,6-7H,1,5,8H2,(H,14,16)/b4-3+