3-[2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-6-nitro-1,3-benzoxazol-2-one Formula: C21H17ClN4O5S MolecularWeight: 472.90148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=C(S2)C=CC(=C3)Cl)C(=O)CN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

Isomeric SMILES

C1CN(CCC1C2=NC3=C(S2)C=CC(=C3)Cl)C(=O)CN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

InChI

InChI=1S/C21H17ClN4O5S/c22-13-1-4-18-15(9-13)23-20(32-18)12-5-7-24(8-6-12)19(27)11-25-16-3-2-14(26(29)30)10-17(16)31-21(25)28/h1-4,9-10,12H,5-8,11H2