4-(4-chloranyl-6-nitro-thieno[2,3-d]pyrimidin-2-yl)benzoic acid

Systemtic Name: 4-(4-chloranyl-6-nitro-thieno[2,3-d]pyrimidin-2-yl)benzoic acid Openeye Name: 4-(4-chloro-6-nitro-thieno[2,3-d]pyrimidin-2-yl)benzoic acid CAS Name: 4-(4-chloro-6-nitro-2-thieno[2,3-d]pyrimidinyl)benzoic acid IUPAC Name: 4-(4-chloro-6-nitrothieno[2,3-d]pyrimidin-2-yl)benzoic acid Traditional Name: 4-(4-chloro-6-nitro-thieno[2,3-d]pyrimidin-2-yl)benzoic acid Formula: C13H6ClN3O4S MolecularWeight: 335.72244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=C(S3)[N+](=O)[O-])C(=N2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=C(S3)[N+](=O)[O-])C(=N2)Cl)C(=O)O

InChI

InChI=1S/C13H6ClN3O4S/c14-10-8-5-9(17(20)21)22-12(8)16-11(15-10)6-1-3-7(4-2-6)13(18)19/h1-5H,(H,18,19)