methyl 2-(2-naphthalen-1-ylcarbonylimino-6-nitro-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(2-naphthalen-1-ylcarbonylimino-6-nitro-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-[2-(naphthalene-1-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1-naphthalenyl(oxo)methyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(naphthalene-1-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1-naphthoylimino)-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H15N3O5S MolecularWeight: 421.4259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H15N3O5S/c1-29-19(25)12-23-17-10-9-14(24(27)28)11-18(17)30-21(23)22-20(26)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,12H2,1H3