methyl 2-(5-chloranyl-2-nitro-phenyl)carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(5-chloranyl-2-nitro-phenyl)carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(5-chloro-2-nitro-benzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(5-chloro-2-nitrophenyl)-oxomethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(5-chloro-2-nitrobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(5-chloro-2-nitro-benzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H12ClN3O5S MolecularWeight: 405.81228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O5S/c1-20-13-5-3-9(16(23)26-2)7-14(13)27-17(20)19-15(22)11-8-10(18)4-6-12(11)21(24)25/h3-8H,1-2H3