(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-phenyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-phenylpiperazino)prop-2-en-1-one Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C20H19N3O5/c24-20(22-10-8-21(9-11-22)16-4-2-1-3-5-16)7-6-15-12-18-19(28-14-27-18)13-17(15)23(25)26/h1-7,12-13H,8-11,14H2/b7-6+