5-methoxy-4-nitro-1,3-benzothiazole-2-carbaldehyde

Systemtic Name: 5-methoxy-4-nitro-1,3-benzothiazole-2-carbaldehyde Openeye Name: 5-methoxy-4-nitro-1,3-benzothiazole-2-carbaldehyde CAS Name: 5-methoxy-4-nitro-1,3-benzothiazole-2-carboxaldehyde IUPAC Name: 5-methoxy-4-nitro-1,3-benzothiazole-2-carbaldehyde Traditional Name: 5-methoxy-4-nitro-1,3-benzothiazole-2-carbaldehyde Formula: C9H6N2O4S MolecularWeight: 238.21994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)SC(=N2)C=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C2=C(C=C1)SC(=N2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C9H6N2O4S/c1-15-5-2-3-6-8(9(5)11(13)14)10-7(4-12)16-6/h2-4H,1H3