methyl 2-[2-[2-(4-chloranylphenoxy)ethanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(4-chloranylphenoxy)ethanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(4-chlorophenoxy)acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(4-chlorophenoxy)-1-oxoethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-chlorophenoxy)acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(4-chlorophenoxy)acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H14ClN3O6S MolecularWeight: 435.83826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClN3O6S/c1-27-17(24)9-21-14-7-4-12(22(25)26)8-15(14)29-18(21)20-16(23)10-28-13-5-2-11(19)3-6-13/h2-8H,9-10H2,1H3