[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-(3-nitrophenyl)methanone Formula: C18H15N5O5S MolecularWeight: 413.4072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O5S/c24-17(12-2-1-3-13(10-12)22(25)26)20-6-8-21(9-7-20)18-19-15-5-4-14(23(27)28)11-16(15)29-18/h1-5,10-11H,6-9H2