N-(6-acetamido-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C16H11N5O6S MolecularWeight: 401.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O6S/c1-8(22)17-10-2-3-13-14(6-10)28-16(18-13)19-15(23)9-4-11(20(24)25)7-12(5-9)21(26)27/h2-7H,1H3,(H,17,22)(H,18,19,23)