[5-[[(3,5-dinitrophenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(3,5-dinitrophenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(3,5-dinitrobenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(3,5-dinitrophenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3,5-dinitrobenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(3,5-dinitrobenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H21N3O10S MolecularWeight: 483.44914

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O10S/c1-30-7-6-20(12-13-4-5-17(31-2)18(8-13)32-33(3,28)29)19(23)14-9-15(21(24)25)11-16(10-14)22(26)27/h4-5,8-11H,6-7,12H2,1-3H3