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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2,4-dinitro-benzamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2,4-dinitro-benzamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2,4-dinitrobenzamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2,4-dinitrobenzamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2,4-dinitro-benzamide Formula: C15H10N4O5S MolecularWeight: 358.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O5S/c1-8-16-12-5-2-9(6-14(12)25-8)17-15(20)11-4-3-10(18(21)22)7-13(11)19(23)24/h2-7H,1H3,(H,17,20)