1-[(E)-(3-azanylidene-2-cyano-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-6-yl)methylideneamino]-3-butyl-urea

Systemtic Name: 1-[(E)-(3-azanylidene-2-cyano-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-6-yl)methylideneamino]-3-butyl-urea Openeye Name: 1-butyl-3-[(E)-(2-cyano-4-hydroxy-3-imino-1-oxido-quinoxalin-1-ium-6-yl)methyleneamino]urea CAS Name: 1-butyl-3-[(E)-(2-cyano-4-hydroxy-3-imino-1-oxido-6-quinoxalin-1-iumyl)methylideneamino]urea IUPAC Name: 1-butyl-3-[(E)-(2-cyano-4-hydroxy-3-imino-1-oxidoquinoxalin-1-ium-6-yl)methylideneamino]urea Traditional Name: 1-butyl-3-[(E)-(2-cyano-4-hydroxy-3-imino-1-oxido-quinoxalin-1-ium-6-yl)methyleneamino]urea Formula: C15H17N7O3 MolecularWeight: 343.34058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NN=CC1=CC2=C(C=C1)[N+](=C(C(=N)N2O)C#N)[O-]

Isomeric SMILES

CCCCNC(=O)N/N=C/C1=CC2=C(C=C1)[N+](=C(C(=N)N2O)C#N)[O-]

InChI

InChI=1S/C15H17N7O3/c1-2-3-6-18-15(23)20-19-9-10-4-5-11-12(7-10)22(25)14(17)13(8-16)21(11)24/h4-5,7,9,17,25H,2-3,6H2,1H3,(H2,18,20,23)/b17-14?,19-9+