[3-(ethoxycarbonylamino)phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [3-(ethoxycarbonylamino)phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [3-(ethoxycarbonylamino)phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [3-(ethoxycarbonylamino)phenyl] ester IUPAC Name: [3-(ethoxycarbonylamino)phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [3-(carbethoxyamino)phenyl] ester Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O7S/c1-3-24-16(19)17-12-5-4-6-14(9-12)25-26(22,23)15-10-13(18(20)21)8-7-11(15)2/h4-10H,3H2,1-2H3,(H,17,19)