7-chloranyl-3-[3-(methylamino)propylimino]-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-2-carbonitrile

Systemtic Name: 7-chloranyl-3-[3-(methylamino)propylimino]-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-2-carbonitrile Openeye Name: 7-chloro-4-hydroxy-3-[3-(methylamino)propylimino]-1-oxido-quinoxalin-1-ium-2-carbonitrile CAS Name: 7-chloro-4-hydroxy-3-[3-(methylamino)propylimino]-1-oxido-2-quinoxalin-1-iumcarbonitrile IUPAC Name: 7-chloro-4-hydroxy-3-[3-(methylamino)propylimino]-1-oxidoquinoxalin-1-ium-2-carbonitrile Traditional Name: 7-chloro-4-hydroxy-3-[3-(methylamino)propylimino]-1-oxido-quinoxalin-1-ium-2-carbonitrile Formula: C13H14ClN5O2 MolecularWeight: 307.73556

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCN=C1C(=[N+](C2=C(N1O)C=CC(=C2)Cl)[O-])C#N

Isomeric SMILES

CNCCCN=C1C(=[N+](C2=C(N1O)C=CC(=C2)Cl)[O-])C#N

InChI

InChI=1S/C13H14ClN5O2/c1-16-5-2-6-17-13-12(8-15)18(20)11-7-9(14)3-4-10(11)19(13)21/h3-4,7,16,21H,2,5-6H2,1H3