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

Systemtic Name: [3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-3-oxidanylidene-1H-quinoxalin-6-yl]phenyl] methanesulfonate Openeye Name: [3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-3-oxo-1H-quinoxalin-6-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitrophenoxy)methyl]-3-oxo-1H-quinoxalin-6-yl]phenyl] ester IUPAC Name: [3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitrophenoxy)methyl]-3-oxo-1H-quinoxalin-6-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[3-keto-2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-1H-quinoxalin-6-yl]-3-methoxy-phenyl] ester Formula: C27H29N3O8S MolecularWeight: 555.59946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])OCC2=C(C=CC3=C2N(C(=O)C(N3)(C)C)C)C4=C(C=C(C=C4)OS(=O)(=O)C)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])OCC2=C(C=CC3=C2N(C(=O)C(N3)(C)C)C)C4=C(C=C(C=C4)OS(=O)(=O)C)OC

InChI

InChI=1S/C27H29N3O8S/c1-16-7-8-17(30(32)33)13-23(16)37-15-21-19(11-12-22-25(21)29(4)26(31)27(2,3)28-22)20-10-9-18(14-24(20)36-5)38-39(6,34)35/h7-14,28H,15H2,1-6H3