5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylic acid

Systemtic Name: 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylic acid Openeye Name: 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylic acid CAS Name: 5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid IUPAC Name: 5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid Traditional Name: 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylic acid Formula: C21H16N2O8S MolecularWeight: 456.42534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H16N2O8S/c1-11-19(21(24)25)15-10-16(13-5-3-4-6-14(13)20(15)31-11)22-32(28,29)12-7-8-18(30-2)17(9-12)23(26)27/h3-10,22H,1-2H3,(H,24,25)