[4-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)carbonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)carbonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(3-chloro-5-ethoxy-4-propoxy-benzoyl)piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-[(3-chloro-5-ethoxy-4-propoxyphenyl)-oxomethyl]-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(3-chloro-5-ethoxy-4-propoxy-benzoyl)piperazino]-(5-nitro-2-thienyl)methanone Formula: C21H24ClN3O6S MolecularWeight: 481.94976

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H24ClN3O6S/c1-3-11-31-19-15(22)12-14(13-16(19)30-4-2)20(26)23-7-9-24(10-8-23)21(27)17-5-6-18(32-17)25(28)29/h5-6,12-13H,3-4,7-11H2,1-2H3