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

Systemtic Name: [3-methoxy-4-[5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-3-oxidanylidene-1H-quinoxalin-6-yl]phenyl] cyclopropanesulfonate Openeye Name: [3-methoxy-4-[5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]phenyl] cyclopropanesulfonate CAS Name: cyclopropanesulfonic 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] cyclopropanesulfonate Traditional Name: cyclopropanesulfonic acid [4-[3-keto-5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-1H-quinoxalin-6-yl]-3-methoxy-phenyl] ester Formula: C29H31N3O9S MolecularWeight: 597.63614

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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)C5CC5)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)C5CC5)OC)C)C

InChI

InChI=1S/C29H31N3O9S/c1-29(2)28(33)31(3)27-22(16-40-26-14-17(32(34)35)6-13-24(26)38-4)20(11-12-23(27)30-29)21-10-7-18(15-25(21)39-5)41-42(36,37)19-8-9-19/h6-7,10-15,19,30H,8-9,16H2,1-5H3