(1Z)-N-acenaphthyleno[2,1-b]quinoxalin-7-ium-7-yl-2-bromanyl-propanimidate

Systemtic Name: (1Z)-N-acenaphthyleno[2,1-b]quinoxalin-7-ium-7-yl-2-bromanyl-propanimidate Openeye Name: (1Z)-N-acenaphthyleno[2,1-b]quinoxalin-7-ium-7-yl-2-bromo-propanimidate CAS Name: (1Z)-N-(7-acenaphthyleno[2,1-b]quinoxalin-7-iumyl)-2-bromopropanimidate IUPAC Name: (1Z)-N-acenaphthyleno[2,1-b]quinoxalin-7-ium-7-yl-2-bromopropanimidate Traditional Name: (1Z)-N-acenaphtho[2,1-b]quinoxalin-7-ium-7-yl-2-bromo-propionimidate Formula: C21H14BrN3O MolecularWeight: 404.25936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=N[N+]1=C2C3=CC=CC4=C3C(=CC=C4)C2=NC5=CC=CC=C51)[O-])Br

Isomeric SMILES

CC(/C(=N/[N+]1=C2C3=CC=CC4=C3C(=CC=C4)C2=NC5=CC=CC=C51)/[O-])Br

InChI

InChI=1S/C21H14BrN3O/c1-12(22)21(26)24-25-17-11-3-2-10-16(17)23-19-14-8-4-6-13-7-5-9-15(18(13)14)20(19)25/h2-12H,1H3