[4-(furan-2-ylcarbonylamino)phenyl] 2-methyl-3-nitro-benzenesulfonate

Systemtic Name: [4-(furan-2-ylcarbonylamino)phenyl] 2-methyl-3-nitro-benzenesulfonate Openeye Name: [4-(furan-2-carbonylamino)phenyl] 2-methyl-3-nitro-benzenesulfonate CAS Name: 2-methyl-3-nitrobenzenesulfonic acid [4-[[2-furanyl(oxo)methyl]amino]phenyl] ester IUPAC Name: [4-(furan-2-carbonylamino)phenyl] 2-methyl-3-nitrobenzenesulfonate Traditional Name: 2-methyl-3-nitro-benzenesulfonic acid [4-(2-furoylamino)phenyl] ester Formula: C18H14N2O7S MolecularWeight: 402.37796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

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