methyl 2-[6-nitro-2-(phenylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-nitro-2-(phenylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-(2-benzoylimino-6-nitro-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(2-benzoylimino-6-nitro-1,3-benzothiazol-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(2-benzoylimino-6-nitro-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(2-benzoylimino-6-nitro-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O5S/c1-25-15(21)10-19-13-8-7-12(20(23)24)9-14(13)26-17(19)18-16(22)11-5-3-2-4-6-11/h2-9H,10H2,1H3