(E)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[2-(2-methyl-1-benzimidazolyl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCNC(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCNC(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C20H18N4O5/c1-13-22-15-4-2-3-5-16(15)23(13)9-8-21-20(25)7-6-14-10-18-19(29-12-28-18)11-17(14)24(26)27/h2-7,10-11H,8-9,12H2,1H3,(H,21,25)/b7-6+