(3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)-(4-pentoxyphenyl)methanone

Systemtic Name: (3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)-(4-pentoxyphenyl)methanone Openeye Name: (3-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-yl)-(4-pentoxyphenyl)methanone CAS Name: (3-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumyl)-(4-pentoxyphenyl)methanone IUPAC Name: (3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-(4-pentoxyphenyl)methanone Traditional Name: (4-amoxyphenyl)-(1-keto-3-methyl-4-oxido-quinoxalin-1-ium-2-yl)methanone Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C

InChI

InChI=1S/C21H22N2O4/c1-3-4-7-14-27-17-12-10-16(11-13-17)21(24)20-15(2)22(25)18-8-5-6-9-19(18)23(20)26/h5-6,8-13H,3-4,7,14H2,1-2H3