[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,5-dinitrophenyl)methanone

Systemtic Name: [4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,5-dinitrophenyl)methanone Openeye Name: [4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,5-dinitrophenyl)methanone CAS Name: [4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3,5-dinitrophenyl)methanone IUPAC Name: [4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,5-dinitrophenyl)methanone Traditional Name: [4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]-(3,5-dinitrophenyl)methanone Formula: C18H14ClN5O5S MolecularWeight: 447.85226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN5O5S/c19-12-1-2-15-16(9-12)30-18(20-15)22-5-3-21(4-6-22)17(25)11-7-13(23(26)27)10-14(8-11)24(28)29/h1-2,7-10H,3-6H2