N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitro-benzamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitro-benzamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitrobenzamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitro-benzamide Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O6S/c1-3-27-11-4-5-12-15(8-11)28-17(18-12)19-16(22)10-6-13(20(23)24)9(2)14(7-10)21(25)26/h4-8H,3H2,1-2H3,(H,18,19,22)