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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])CBr

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])CBr

InChI

InChI=1S/C21H21BrN2O4/c1-14(2)11-12-28-16-9-7-15(8-10-16)21(25)20-19(13-22)23(26)17-5-3-4-6-18(17)24(20)27/h3-10,14H,11-13H2,1-2H3