N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide

Systemtic Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide Openeye Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide CAS Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide IUPAC Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide Traditional Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide Formula: C15H14N4O5S MolecularWeight: 362.36046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O5S/c1-8-2-5-11-13(6-8)25-15(16-11)17-14(20)10-4-3-9(18(21)22)7-12(10)19(23)24/h3-4,7-8H,2,5-6H2,1H3,(H,16,17,20)