[4-(furan-2-ylcarbonylamino)phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-(furan-2-ylcarbonylamino)phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-(furan-2-carbonylamino)phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[[2-furanyl(oxo)methyl]amino]phenyl] ester IUPAC Name: [4-(furan-2-carbonylamino)phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-(2-furoylamino)phenyl] ester Formula: C18H14N2O7S MolecularWeight: 402.37796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H14N2O7S/c1-12-4-7-14(20(22)23)11-17(12)28(24,25)27-15-8-5-13(6-9-15)19-18(21)16-3-2-10-26-16/h2-11H,1H3,(H,19,21)