(phenylmethyl) 2-(6-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(6-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: benzyl 2-(6-nitro-2-oxo-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(6-nitro-2-oxo-1,3-benzothiazol-3-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(6-nitro-2-oxo-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(2-keto-6-nitro-1,3-benzothiazol-3-yl)acetic acid benzyl ester Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=O

InChI

InChI=1S/C16H12N2O5S/c19-15(23-10-11-4-2-1-3-5-11)9-17-13-7-6-12(18(21)22)8-14(13)24-16(17)20/h1-8H,9-10H2