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

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3,4-dimethoxybenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3,4-dimethoxyphenyl)-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethoxybenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(5-nitro-2-veratroylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C19H17N3O7S MolecularWeight: 431.41918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O7S/c1-27-14-6-4-11(8-15(14)28-2)18(24)20-19-21(10-17(23)29-3)13-9-12(22(25)26)5-7-16(13)30-19/h4-9H,10H2,1-3H3