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

Systemtic Name: [5-[[(3,5-dinitrophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(3,5-dinitrobenzoyl)-(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(3,5-dinitrophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3,5-dinitrobenzoyl)-(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(3,5-dinitrobenzoyl)-(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H19N3O10S MolecularWeight: 505.45466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C21H19N3O10S/c1-32-19-6-5-14(8-20(19)34-35(2,30)31)12-22(13-18-4-3-7-33-18)21(25)15-9-16(23(26)27)11-17(10-15)24(28)29/h3-11H,12-13H2,1-2H3