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

Systemtic Name: [3-[[(3,5-dinitrophenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(3,5-dinitrobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(3,5-dinitrophenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3,5-dinitrobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(3,5-dinitrobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C18H19N3O9S MolecularWeight: 453.42316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O9S/c1-29-7-6-19(12-13-4-3-5-17(8-13)30-31(2,27)28)18(22)14-9-15(20(23)24)11-16(10-14)21(25)26/h3-5,8-11H,6-7,12H2,1-2H3