(1Z)-2-bromanyl-N-(9-chloranyl-6-methoxy-acenaphthyleno[1,2-b]quinoxalin-12-ium-12-yl)ethanimidate

Systemtic Name: (1Z)-2-bromanyl-N-(9-chloranyl-6-methoxy-acenaphthyleno[1,2-b]quinoxalin-12-ium-12-yl)ethanimidate Openeye Name: (1Z)-2-bromo-N-(9-chloro-6-methoxy-acenaphthyleno[1,2-b]quinoxalin-12-ium-12-yl)ethanimidate CAS Name: (1Z)-2-bromo-N-(9-chloro-6-methoxy-12-acenaphthyleno[1,2-b]quinoxalin-12-iumyl)ethanimidate IUPAC Name: (1Z)-2-bromo-N-(9-chloro-6-methoxyacenaphthyleno[1,2-b]quinoxalin-12-ium-12-yl)ethanimidate Traditional Name: (1Z)-2-bromo-N-(9-chloro-6-methoxy-acenaphtho[1,2-b]quinoxalin-12-ium-12-yl)acetimidate Formula: C21H13BrClN3O2 MolecularWeight: 454.70382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C3=C(C=CC=C3C4=[N+](C5=C(C=C(C=C5)Cl)N=C24)N=C(CBr)[O-])C=C1

Isomeric SMILES

COC1=C2C3=C(C=CC=C3C4=[N+](C5=C(C=C(C=C5)Cl)N=C24)/N=C(/CBr)\[O-])C=C1

InChI

InChI=1S/C21H13BrClN3O2/c1-28-16-8-5-11-3-2-4-13-18(11)19(16)20-21(13)26(25-17(27)10-22)15-7-6-12(23)9-14(15)24-20/h2-9H,10H2,1H3