methyl 2-[6-nitro-2-(4-oxidanylidenechromen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-nitro-2-(4-oxidanylidenechromen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[oxo-(4-oxo-1-benzopyran-2-yl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-nitro-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-ketochromene-2-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H13N3O7S MolecularWeight: 439.39812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C20H13N3O7S/c1-29-18(25)10-22-13-7-6-11(23(27)28)8-17(13)31-20(22)21-19(26)16-9-14(24)12-4-2-3-5-15(12)30-16/h2-9H,10H2,1H3