3-(4-butylphenyl)imino-7-chloranyl-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-2-carbonitrile

Systemtic Name: 3-(4-butylphenyl)imino-7-chloranyl-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-2-carbonitrile Openeye Name: 3-(4-butylphenyl)imino-7-chloro-4-hydroxy-1-oxido-quinoxalin-1-ium-2-carbonitrile CAS Name: 3-(4-butylphenyl)imino-7-chloro-4-hydroxy-1-oxido-2-quinoxalin-1-iumcarbonitrile IUPAC Name: 3-(4-butylphenyl)imino-7-chloro-4-hydroxy-1-oxidoquinoxalin-1-ium-2-carbonitrile Traditional Name: 3-(4-butylphenyl)imino-7-chloro-4-hydroxy-1-oxido-quinoxalin-1-ium-2-carbonitrile Formula: C19H17ClN4O2 MolecularWeight: 368.81688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N=C2C(=[N+](C3=C(N2O)C=CC(=C3)Cl)[O-])C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N=C2C(=[N+](C3=C(N2O)C=CC(=C3)Cl)[O-])C#N

InChI

InChI=1S/C19H17ClN4O2/c1-2-3-4-13-5-8-15(9-6-13)22-19-18(12-21)23(25)17-11-14(20)7-10-16(17)24(19)26/h5-11,26H,2-4H2,1H3