tert-butyl N-[(E)-(4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)methyl]iminocarbamate

Systemtic Name: tert-butyl N-[(E)-(4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)methyl]iminocarbamate Openeye Name: tert-butyl N-[(E)-(1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene)methyl]iminocarbamate CAS Name: N-[(E)-(1-hydroxy-4-oxido-2-quinoxalin-4-iumylidene)methyl]iminocarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminocarbamate Traditional Name: N-[(E)-(1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene)methyl]iminocarbamic acid tert-butyl ester Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N=NC=C1C=[N+](C2=CC=CC=C2N1O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N=N/C=C/1\C=[N+](C2=CC=CC=C2N1O)[O-]

InChI

InChI=1S/C14H16N4O4/c1-14(2,3)22-13(19)16-15-8-10-9-17(20)11-6-4-5-7-12(11)18(10)21/h4-9,21H,1-3H3/b10-8+,16-15?