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

Systemtic Name: [3-methoxy-4-[5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-3-oxidanylidene-1H-quinoxalin-6-yl]phenyl] propane-2-sulfonate Openeye Name: [3-methoxy-4-[5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-methoxy-4-[5-[(2-methoxy-5-nitrophenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[3-keto-5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-1H-quinoxalin-6-yl]-3-methoxy-phenyl] ester Formula: C29H33N3O9S MolecularWeight: 599.65202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC(=C(C=C1)C2=C(C3=C(C=C2)NC(C(=O)N3C)(C)C)COC4=C(C=CC(=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC(=C(C=C1)C2=C(C3=C(C=C2)NC(C(=O)N3C)(C)C)COC4=C(C=CC(=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C29H33N3O9S/c1-17(2)42(36,37)41-19-9-10-21(25(15-19)39-7)20-11-12-23-27(31(5)28(33)29(3,4)30-23)22(20)16-40-26-14-18(32(34)35)8-13-24(26)38-6/h8-15,17,30H,16H2,1-7H3