(E)-3-(4-bromophenyl)-1-(3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-bromophenyl)-1-(3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-bromophenyl)-1-(3-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-yl)prop-2-en-1-one CAS Name: (E)-3-(4-bromophenyl)-1-(3-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(4-bromophenyl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-bromophenyl)-1-(1-keto-3-methyl-4-oxido-quinoxalin-1-ium-2-yl)prop-2-en-1-one Formula: C18H13BrN2O3 MolecularWeight: 385.21142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)/C=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H13BrN2O3/c1-12-18(17(22)11-8-13-6-9-14(19)10-7-13)21(24)16-5-3-2-4-15(16)20(12)23/h2-11H,1H3/b11-8+