N-(4-methoxy-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-2,4-dinitro-benzamide

Systemtic Name: N-(4-methoxy-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-2,4-dinitro-benzamide Openeye Name: N-(4-methoxy-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-2,4-dinitro-benzamide CAS Name: N-(4-methoxy-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-2,4-dinitrobenzamide IUPAC Name: N-(4-methoxy-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-2,4-dinitrobenzamide Traditional Name: N-(4-methoxy-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-2,4-dinitro-benzamide Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(CCCC2SC1=NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CN1C2C(CCCC2SC1=NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C16H18N4O6S/c1-18-14-12(26-2)4-3-5-13(14)27-16(18)17-15(21)10-7-6-9(19(22)23)8-11(10)20(24)25/h6-8,12-14H,3-5H2,1-2H3