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

Systemtic Name: 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylic acid Openeye Name: 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylic acid CAS Name: 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid IUPAC Name: 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylic acid Traditional Name: 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylic acid Formula: C21H16N2O7S MolecularWeight: 440.42594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C4=CC=CC=C42)OC(=C3C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C4=CC=CC=C42)OC(=C3C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O7S/c1-11-7-8-13(9-18(11)23(26)27)31(28,29)22-17-10-16-19(21(24)25)12(2)30-20(16)15-6-4-3-5-14(15)17/h3-10,22H,1-2H3,(H,24,25)