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

Systemtic Name: [4-(3-chloranyl-4,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(3-chloro-4,5-dimethoxy-benzoyl)piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-[(3-chloro-4,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(3-chloro-4,5-dimethoxybenzoyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(3-chloro-4,5-dimethoxy-benzoyl)piperazino]-(5-nitro-2-thienyl)methanone Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O6S/c1-27-13-10-11(9-12(19)16(13)28-2)17(23)20-5-7-21(8-6-20)18(24)14-3-4-15(29-14)22(25)26/h3-4,9-10H,5-8H2,1-2H3