ethyl 2-[2-(4-methoxyphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-methoxyphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-methoxybenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-methoxyphenyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methoxybenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-nitro-2-p-anisoylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O6S/c1-3-28-17(23)11-21-15-9-6-13(22(25)26)10-16(15)29-19(21)20-18(24)12-4-7-14(27-2)8-5-12/h4-10H,3,11H2,1-2H3