[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(2-bromo-5-methoxy-benzoyl)piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-[(2-bromo-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(2-bromo-5-methoxy-benzoyl)piperazino]-(5-nitro-2-thienyl)methanone Formula: C17H16BrN3O5S MolecularWeight: 454.29504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O5S/c1-26-11-2-3-13(18)12(10-11)16(22)19-6-8-20(9-7-19)17(23)14-4-5-15(27-14)21(24)25/h2-5,10H,6-9H2,1H3