N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2,4-dinitro-benzamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2,4-dinitro-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2,4-dinitro-benzamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,4-dinitrobenzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,4-dinitrobenzamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2,4-dinitro-benzamide Formula: C21H14N4O5S MolecularWeight: 434.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O5S/c1-12-6-7-13(21-23-16-4-2-3-5-19(16)31-21)10-17(12)22-20(26)15-9-8-14(24(27)28)11-18(15)25(29)30/h2-11H,1H3,(H,22,26)