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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3,4-dimethoxyphenyl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazino]propan-1-one Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O6S/c1-28-15-5-3-14(13-16(15)29-2)4-7-18(24)21-9-11-22(12-10-21)20(25)17-6-8-19(30-17)23(26)27/h3,5-6,8,13H,4,7,9-12H2,1-2H3