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

Systemtic Name: 1-(6-chloranyl-4-nitro-1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde Openeye Name: 1-(6-chloro-4-nitro-1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde CAS Name: 1-(6-chloro-4-nitro-1,3-benzothiazol-2-yl)-2-pyrrolecarboxaldehyde IUPAC Name: 1-(6-chloro-4-nitro-1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde Traditional Name: 1-(6-chloro-4-nitro-1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde Formula: C12H6ClN3O3S MolecularWeight: 307.71234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C=O)C2=NC3=C(S2)C=C(C=C3[N+](=O)[O-])Cl

Isomeric SMILES

C1=CN(C(=C1)C=O)C2=NC3=C(S2)C=C(C=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C12H6ClN3O3S/c13-7-4-9(16(18)19)11-10(5-7)20-12(14-11)15-3-1-2-8(15)6-17/h1-6H