1-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde

Systemtic Name: 1-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde Openeye Name: 1-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde CAS Name: 1-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-pyrrolecarboxaldehyde IUPAC Name: 1-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde Traditional Name: 1-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde Formula: C13H9N3O4S MolecularWeight: 303.29326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)N3C=CC=C3C=O

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)N3C=CC=C3C=O

InChI

InChI=1S/C13H9N3O4S/c1-20-10-5-9(16(18)19)6-11-12(10)14-13(21-11)15-4-2-3-8(15)7-17/h2-7H,1H3