[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C19H16ClN3O6S MolecularWeight: 449.86484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)OCC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN3O6S/c1-19(2,29-13-6-3-11(20)4-7-13)17(25)28-10-16(24)22-18-21-14-8-5-12(23(26)27)9-15(14)30-18/h3-9H,10H2,1-2H3,(H,21,22,24)