2-[(5-chloranylthiophen-2-yl)methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(5-chloro-2-thienyl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(5-chloro-2-thiophenyl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(5-chlorothiophen-2-yl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(5-chloro-2-thienyl)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C13H7ClN2O4S MolecularWeight: 322.72368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC3=CC=C(S3)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC3=CC=C(S3)Cl

InChI

InChI=1S/C13H7ClN2O4S/c14-10-5-4-7(21-10)6-15-12(17)8-2-1-3-9(16(19)20)11(8)13(15)18/h1-5H,6H2