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

Systemtic Name: (E)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[3-methyl-4-(4-methyl-1-piperazinyl)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[3-methyl-4-(4-methylpiperazino)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C22H24N4O5 MolecularWeight: 424.44976

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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)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)N4CCN(CC4)C

InChI

InChI=1S/C22H24N4O5/c1-15-11-17(4-5-18(15)25-9-7-24(2)8-10-25)23-22(27)6-3-16-12-20-21(31-14-30-20)13-19(16)26(28)29/h3-6,11-13H,7-10,14H2,1-2H3,(H,23,27)/b6-3+