methyl 3-[2-(2-methoxyphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(2-methoxyphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2-methoxybenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(2-methoxyphenyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-methoxybenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-nitro-2-o-anisoylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCC(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCC(=O)OC

InChI

InChI=1S/C19H17N3O6S/c1-27-15-6-4-3-5-13(15)18(24)20-19-21(10-9-17(23)28-2)14-8-7-12(22(25)26)11-16(14)29-19/h3-8,11H,9-10H2,1-2H3