[4-[(2-propoxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(2-propoxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2-propoxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(2-propoxyanilino)methyl]phenyl] ester IUPAC Name: [4-[(2-propoxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2-propoxyphenyl)carbamoyl]phenyl] ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O7S/c1-2-14-30-21-9-4-3-8-20(21)23-22(25)16-10-12-18(13-11-16)31-32(28,29)19-7-5-6-17(15-19)24(26)27/h3-13,15H,2,14H2,1H3,(H,23,25)