2-methyl-3-[(5-nitro-1-benzofuran-3-yl)carbonylamino]benzoic acid

Systemtic Name: 2-methyl-3-[(5-nitro-1-benzofuran-3-yl)carbonylamino]benzoic acid Openeye Name: 2-methyl-3-[(5-nitrobenzofuran-3-carbonyl)amino]benzoic acid CAS Name: 2-methyl-3-[[(5-nitro-3-benzofuranyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[(5-nitro-1-benzofuran-3-carbonyl)amino]benzoic acid Traditional Name: 2-methyl-3-[(5-nitrobenzofuran-3-carbonyl)amino]benzoic acid Formula: C17H12N2O6 MolecularWeight: 340.28698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=COC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=COC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H12N2O6/c1-9-11(17(21)22)3-2-4-14(9)18-16(20)13-8-25-15-6-5-10(19(23)24)7-12(13)15/h2-8H,1H3,(H,18,20)(H,21,22)