2-(3-chloranylphenoxy)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(3-chloranylphenoxy)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(3-chlorophenoxy)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 2-(3-chlorophenoxy)-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(3-chlorophenoxy)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 2-(3-chlorophenoxy)-1-[4-(5-nitrothiophene-2-carbonyl)piperazino]propan-1-one Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=C(S2)[N+](=O)[O-])OC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=C(S2)[N+](=O)[O-])OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H18ClN3O5S/c1-12(27-14-4-2-3-13(19)11-14)17(23)20-7-9-21(10-8-20)18(24)15-5-6-16(28-15)22(25)26/h2-6,11-12H,7-10H2,1H3