[3-(ethoxycarbonylamino)phenyl] 3-chloranyl-4-methyl-5-nitro-benzenesulfonate

Systemtic Name: [3-(ethoxycarbonylamino)phenyl] 3-chloranyl-4-methyl-5-nitro-benzenesulfonate Openeye Name: [3-(ethoxycarbonylamino)phenyl] 3-chloro-4-methyl-5-nitro-benzenesulfonate CAS Name: 3-chloro-4-methyl-5-nitrobenzenesulfonic acid [3-(ethoxycarbonylamino)phenyl] ester IUPAC Name: [3-(ethoxycarbonylamino)phenyl] 3-chloro-4-methyl-5-nitrobenzenesulfonate Traditional Name: 3-chloro-4-methyl-5-nitro-benzenesulfonic acid [3-(carbethoxyamino)phenyl] ester Formula: C16H15ClN2O7S MolecularWeight: 414.8175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC(=CC=C1)OS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl

Isomeric SMILES

CCOC(=O)NC1=CC(=CC=C1)OS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C16H15ClN2O7S/c1-3-25-16(20)18-11-5-4-6-12(7-11)26-27(23,24)13-8-14(17)10(2)15(9-13)19(21)22/h4-9H,3H2,1-2H3,(H,18,20)