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

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-propylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-propylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-propyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-propylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-propylpiperazino)prop-2-en-1-one Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCCN1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H21N3O5/c1-2-5-18-6-8-19(9-7-18)17(21)4-3-13-10-15-16(25-12-24-15)11-14(13)20(22)23/h3-4,10-11H,2,5-9,12H2,1H3/b4-3+