N-[(E)-(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)methylideneamino]-4-nitro-benzamide

Systemtic Name: N-[(E)-(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)methylideneamino]-4-nitro-benzamide Openeye Name: N-[(E)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methyleneamino]-4-nitro-benzamide CAS Name: N-[(E)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]-4-nitrobenzamide IUPAC Name: N-[(E)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]-4-nitrobenzamide Traditional Name: N-[(E)-(2-keto-7-methoxy-1,3-benzoxathiol-5-yl)methyleneamino]-4-nitro-benzamide Formula: C16H11N3O6S MolecularWeight: 373.34004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)C=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SC(=O)O2

Isomeric SMILES

COC1=C2C(=CC(=C1)/C=N/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SC(=O)O2

InChI

InChI=1S/C16H11N3O6S/c1-24-12-6-9(7-13-14(12)25-16(21)26-13)8-17-18-15(20)10-2-4-11(5-3-10)19(22)23/h2-8H,1H3,(H,18,20)/b17-8+