3-nitro-4-[(5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzaldehyde

Systemtic Name: 3-nitro-4-[(5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzaldehyde Openeye Name: 3-nitro-4-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzaldehyde CAS Name: 3-nitro-4-[(5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methoxy]benzaldehyde IUPAC Name: 3-nitro-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzaldehyde Traditional Name: 4-[(5-ketothiazolo[3,2-a]pyrimidin-7-yl)methoxy]-3-nitro-benzaldehyde Formula: C14H9N3O5S MolecularWeight: 331.30336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=O)[N+](=O)[O-])OCC2=CC(=O)N3C=CSC3=N2

Isomeric SMILES

C1=CC(=C(C=C1C=O)[N+](=O)[O-])OCC2=CC(=O)N3C=CSC3=N2

InChI

InChI=1S/C14H9N3O5S/c18-7-9-1-2-12(11(5-9)17(20)21)22-8-10-6-13(19)16-3-4-23-14(16)15-10/h1-7H,8H2