N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-2,4-dinitro-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-2,4-dinitro-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-2,4-dinitro-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitrophenyl]-2,4-dinitrobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitrophenyl]-2,4-dinitrobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-2,4-dinitro-benzamide Formula: C20H11N5O7S MolecularWeight: 465.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)[N+](=O)[O-])NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)[N+](=O)[O-])NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H11N5O7S/c26-19(14-8-6-12(24(29)30)10-17(14)25(31)32)21-16-9-11(23(27)28)5-7-13(16)20-22-15-3-1-2-4-18(15)33-20/h1-10H,(H,21,26)