3-[4-(3-methylbutoxy)phenyl]-1-[(4-nitrophenyl)methoxy]-4-oxidanidyl-quinoxalin-4-ium-2-one

Systemtic Name: 3-[4-(3-methylbutoxy)phenyl]-1-[(4-nitrophenyl)methoxy]-4-oxidanidyl-quinoxalin-4-ium-2-one Openeye Name: 3-(4-isopentyloxyphenyl)-1-[(4-nitrophenyl)methoxy]-4-oxido-quinoxalin-4-ium-2-one CAS Name: 3-[4-(3-methylbutoxy)phenyl]-1-[(4-nitrophenyl)methoxy]-4-oxido-2-quinoxalin-4-iumone IUPAC Name: 3-[4-(3-methylbutoxy)phenyl]-1-[(4-nitrophenyl)methoxy]-4-oxidoquinoxalin-4-ium-2-one Traditional Name: 3-(4-isoamoxyphenyl)-1-(4-nitrobenzyl)oxy-4-oxido-quinoxalin-4-ium-2-one Formula: C26H25N3O6 MolecularWeight: 475.4932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=C(C=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=C(C=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C26H25N3O6/c1-18(2)15-16-34-22-13-9-20(10-14-22)25-26(30)28(24-6-4-3-5-23(24)27(25)31)35-17-19-7-11-21(12-8-19)29(32)33/h3-14,18H,15-17H2,1-2H3