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

Systemtic Name: [3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-3-oxidanylidene-1H-quinoxalin-6-yl]phenyl] cyclopropanesulfonate Openeye Name: [3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-3-oxo-1H-quinoxalin-6-yl]phenyl] cyclopropanesulfonate CAS Name: cyclopropanesulfonic 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] cyclopropanesulfonate Traditional Name: cyclopropanesulfonic acid [4-[3-keto-2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-1H-quinoxalin-6-yl]-3-methoxy-phenyl] ester Formula: C29H31N3O8S MolecularWeight: 581.63674

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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)C5CC5)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)C5CC5)OC

InChI

InChI=1S/C29H31N3O8S/c1-17-6-7-18(32(34)35)14-25(17)39-16-23-21(12-13-24-27(23)31(4)28(33)29(2,3)30-24)22-11-8-19(15-26(22)38-5)40-41(36,37)20-9-10-20/h6-8,11-15,20,30H,9-10,16H2,1-5H3