2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C17H9ClN2O4S MolecularWeight: 372.78236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H9ClN2O4S/c18-15-9-4-1-2-7-12(9)25-13(15)8-19-16(21)10-5-3-6-11(20(23)24)14(10)17(19)22/h1-7H,8H2