N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide IUPAC Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C19H14N4O6S MolecularWeight: 426.40266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O6S/c1-3-7-21-16-6-5-15(29-4-2)11-17(16)30-19(21)20-18(24)12-8-13(22(25)26)10-14(9-12)23(27)28/h1,5-6,8-11H,4,7H2,2H3