methyl 2-[2-(5-chloranyl-2-nitro-phenyl)carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(5-chloranyl-2-nitro-phenyl)carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(5-chloro-2-nitro-benzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(5-chloro-2-nitrophenyl)-oxomethyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(5-chloro-2-nitrobenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(5-chloro-2-nitro-benzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H14ClN3O6S MolecularWeight: 435.83826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])S2)CC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])S2)CC(=O)OC

InChI

InChI=1S/C18H14ClN3O6S/c1-27-11-4-6-14-15(8-11)29-18(21(14)9-16(23)28-2)20-17(24)12-7-10(19)3-5-13(12)22(25)26/h3-8H,9H2,1-2H3