N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide Formula: C16H12N4O6S MolecularWeight: 388.35468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O6S/c1-2-26-10-4-6-12-14(8-10)27-16(17-12)18-15(21)11-5-3-9(19(22)23)7-13(11)20(24)25/h3-8H,2H2,1H3,(H,17,18,21)