[3-(ethoxycarbonylamino)phenyl] 4-methoxy-2-nitro-benzenesulfonate

Systemtic Name: [3-(ethoxycarbonylamino)phenyl] 4-methoxy-2-nitro-benzenesulfonate Openeye Name: [3-(ethoxycarbonylamino)phenyl] 4-methoxy-2-nitro-benzenesulfonate CAS Name: 4-methoxy-2-nitrobenzenesulfonic acid [3-(ethoxycarbonylamino)phenyl] ester IUPAC Name: [3-(ethoxycarbonylamino)phenyl] 4-methoxy-2-nitrobenzenesulfonate Traditional Name: 4-methoxy-2-nitro-benzenesulfonic acid [3-(carbethoxyamino)phenyl] ester Formula: C16H16N2O8S MolecularWeight: 396.37184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O8S/c1-3-25-16(19)17-11-5-4-6-13(9-11)26-27(22,23)15-8-7-12(24-2)10-14(15)18(20)21/h4-10H,3H2,1-2H3,(H,17,19)