[4-[[3-(methoxymethyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[3-(methoxymethyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[3-(methoxymethyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[3-(methoxymethyl)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[3-(methoxymethyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[3-(methoxymethyl)phenyl]carbamoyl]phenyl] ester Formula: C21H18N2O7S MolecularWeight: 442.44182

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COCC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O7S/c1-29-14-15-4-2-5-17(12-15)22-21(24)16-8-10-19(11-9-16)30-31(27,28)20-7-3-6-18(13-20)23(25)26/h2-13H,14H2,1H3,(H,22,24)