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

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-(2-thenoyl)piperazino]prop-2-en-1-one Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)C4=CC=CS4

InChI

InChI=1S/C19H17N3O6S/c23-18(20-5-7-21(8-6-20)19(24)17-2-1-9-29-17)4-3-13-10-15-16(28-12-27-15)11-14(13)22(25)26/h1-4,9-11H,5-8,12H2/b4-3+