methyl 2-[2-(1,3-benzoxazol-2-ylcarbonylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzoxazol-2-ylcarbonylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzoxazole-2-carbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzoxazol-2-yl(oxo)methyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzoxazole-2-carbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,3-benzoxazole-2-carbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H12N4O6S MolecularWeight: 412.37608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H12N4O6S/c1-27-15(23)9-21-12-8-10(22(25)26)6-7-14(12)29-18(21)20-16(24)17-19-11-4-2-3-5-13(11)28-17/h2-8H,9H2,1H3