3-azanylidene-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-2-carbonitrile; 1-butyl-3-(methylideneamino)urea

Systemtic Name: 3-azanylidene-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-2-carbonitrile; 1-butyl-3-(methylideneamino)urea Openeye Name: 1-butyl-3-(methyleneamino)urea; 4-hydroxy-3-imino-1-oxido-quinoxalin-1-ium-2-carbonitrile CAS Name: 1-butyl-3-(methyleneamino)urea; 4-hydroxy-3-imino-1-oxido-2-quinoxalin-1-iumcarbonitrile IUPAC Name: 1-butyl-3-(methylideneamino)urea; 4-hydroxy-3-imino-1-oxidoquinoxalin-1-ium-2-carbonitrile Traditional Name: 1-butyl-3-(methyleneamino)urea; 4-hydroxy-3-imino-1-oxido-quinoxalin-1-ium-2-carbonitrile Formula: C15H19N7O3 MolecularWeight: 345.35646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NN=C.C1=CC=C2C(=C1)N(C(=N)C(=[N+]2[O-])C#N)O

Isomeric SMILES

CCCCNC(=O)NN=C.C1=CC=C2C(=C1)N(C(=N)C(=[N+]2[O-])C#N)O

InChI

InChI=1S/C9H6N4O2.C6H13N3O/c10-5-8-9(11)13(15)7-4-2-1-3-6(7)12(8)14;1-3-4-5-8-6(10)9-7-2/h1-4,11,15H;2-5H2,1H3,(H2,8,9,10)