methyl 2-[2-(4-methoxyphenyl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-methoxyphenyl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-methoxybenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-methoxyphenyl)-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-methoxybenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(5-nitro-2-p-anisoylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C18H15N3O6S/c1-26-13-6-3-11(4-7-13)17(23)19-18-20(10-16(22)27-2)14-9-12(21(24)25)5-8-15(14)28-18/h3-9H,10H2,1-2H3