[4-[(2-methoxyphenyl)carbonylamino]phenyl] 2-methoxy-4-nitro-benzenesulfonate

Systemtic Name: [4-[(2-methoxyphenyl)carbonylamino]phenyl] 2-methoxy-4-nitro-benzenesulfonate Openeye Name: [4-[(2-methoxybenzoyl)amino]phenyl] 2-methoxy-4-nitro-benzenesulfonate CAS Name: 2-methoxy-4-nitrobenzenesulfonic acid [4-[[(2-methoxyphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(2-methoxybenzoyl)amino]phenyl] 2-methoxy-4-nitrobenzenesulfonate Traditional Name: 2-methoxy-4-nitro-benzenesulfonic acid [4-(o-anisoylamino)phenyl] ester Formula: C21H18N2O8S MolecularWeight: 458.44122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OS(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OS(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H18N2O8S/c1-29-18-6-4-3-5-17(18)21(24)22-14-7-10-16(11-8-14)31-32(27,28)20-12-9-15(23(25)26)13-19(20)30-2/h3-13H,1-2H3,(H,22,24)