[3-chloranyl-7-nitro-5,6-bis(oxidanyl)-1-benzothiophen-2-yl]-piperidin-1-yl-methanone

Systemtic Name: [3-chloranyl-7-nitro-5,6-bis(oxidanyl)-1-benzothiophen-2-yl]-piperidin-1-yl-methanone Openeye Name: (3-chloro-5,6-dihydroxy-7-nitro-benzothiophen-2-yl)-(1-piperidyl)methanone CAS Name: (3-chloro-5,6-dihydroxy-7-nitro-1-benzothiophen-2-yl)-(1-piperidinyl)methanone IUPAC Name: (3-chloro-5,6-dihydroxy-7-nitro-1-benzothiophen-2-yl)-piperidin-1-ylmethanone Traditional Name: (3-chloro-5,6-dihydroxy-7-nitro-benzothiophen-2-yl)-piperidino-methanone Formula: C14H13ClN2O5S MolecularWeight: 356.78142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C3=CC(=C(C(=C3S2)[N+](=O)[O-])O)O)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C3=CC(=C(C(=C3S2)[N+](=O)[O-])O)O)Cl

InChI

InChI=1S/C14H13ClN2O5S/c15-9-7-6-8(18)11(19)10(17(21)22)12(7)23-13(9)14(20)16-4-2-1-3-5-16/h6,18-19H,1-5H2