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

Systemtic Name: N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3,5-dinitro-benzamide Openeye Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3,5-dinitro-benzamide CAS Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3,5-dinitrobenzamide Traditional Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3,5-dinitro-benzamide Formula: C18H11ClN6O5S MolecularWeight: 458.83514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C18H11ClN6O5S/c1-9-5-15(23(22-9)18-21-16-13(19)3-2-4-14(16)31-18)20-17(26)10-6-11(24(27)28)8-12(7-10)25(29)30/h2-8H,1H3,(H,20,26)