[3-methoxy-4-[5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-3-oxidanylidene-1H-quinoxalin-6-yl]phenyl] methanesulfonate

Systemtic Name: [3-methoxy-4-[5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-3-oxidanylidene-1H-quinoxalin-6-yl]phenyl] methanesulfonate Openeye Name: [3-methoxy-4-[5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-methoxy-4-[5-[(2-methoxy-5-nitrophenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]phenyl] ester IUPAC Name: [3-methoxy-4-[5-[(2-methoxy-5-nitrophenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[3-keto-5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-1H-quinoxalin-6-yl]-3-methoxy-phenyl] ester Formula: C27H29N3O9S MolecularWeight: 571.59886

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(N1)C=CC(=C2COC3=C(C=CC(=C3)[N+](=O)[O-])OC)C4=C(C=C(C=C4)OS(=O)(=O)C)OC)C)C

Isomeric SMILES

CC1(C(=O)N(C2=C(N1)C=CC(=C2COC3=C(C=CC(=C3)[N+](=O)[O-])OC)C4=C(C=C(C=C4)OS(=O)(=O)C)OC)C)C

InChI

InChI=1S/C27H29N3O9S/c1-27(2)26(31)29(3)25-20(15-38-24-13-16(30(32)33)7-12-22(24)36-4)18(10-11-21(25)28-27)19-9-8-17(14-23(19)37-5)39-40(6,34)35/h7-14,28H,15H2,1-6H3