2,4-bis(furan-2-ylmethylamino)-3-nitro-5-sulfamoyl-benzoic acid

Systemtic Name: 2,4-bis(furan-2-ylmethylamino)-3-nitro-5-sulfamoyl-benzoic acid Openeye Name: 2,4-bis(2-furylmethylamino)-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 2,4-bis(2-furanylmethylamino)-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 2,4-bis(furan-2-ylmethylamino)-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 2,4-bis(2-furfurylamino)-3-nitro-5-sulfamoyl-benzoic acid Formula: C17H16N4O8S MolecularWeight: 436.39594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=C(C(=C(C=C2C(=O)O)S(=O)(=O)N)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNC2=C(C(=C(C=C2C(=O)O)S(=O)(=O)N)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O8S/c18-30(26,27)13-7-12(17(22)23)14(19-8-10-3-1-5-28-10)16(21(24)25)15(13)20-9-11-4-2-6-29-11/h1-7,19-20H,8-9H2,(H,22,23)(H2,18,26,27)