[3-(bromomethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]-(4-pentoxyphenyl)methanone

Systemtic Name: [3-(bromomethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]-(4-pentoxyphenyl)methanone Openeye Name: [3-(bromomethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-yl]-(4-pentoxyphenyl)methanone CAS Name: [3-(bromomethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumyl]-(4-pentoxyphenyl)methanone IUPAC Name: [3-(bromomethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-yl]-(4-pentoxyphenyl)methanone Traditional Name: (4-amoxyphenyl)-[3-(bromomethyl)-1-keto-4-oxido-quinoxalin-1-ium-2-yl]methanone Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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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-])CBr

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O4/c1-2-3-6-13-28-16-11-9-15(10-12-16)21(25)20-19(14-22)23(26)17-7-4-5-8-18(17)24(20)27/h4-5,7-12H,2-3,6,13-14H2,1H3