methyl 2-[2-(2-chloranyl-5-nitro-phenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2-chloranyl-5-nitro-phenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-chloro-5-nitro-benzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2-chloro-5-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-chloro-5-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-chloro-5-nitro-benzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H12ClN3O5S MolecularWeight: 405.81228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN3O5S/c1-26-15(22)9-20-13-4-2-3-5-14(13)27-17(20)19-16(23)11-8-10(21(24)25)6-7-12(11)18/h2-8H,9H2,1H3