N-butyl-3-(chloromethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide

Systemtic Name: N-butyl-3-(chloromethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide Openeye Name: N-butyl-3-(chloromethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxamide CAS Name: N-butyl-3-(chloromethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxamide IUPAC Name: N-butyl-3-(chloromethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide Traditional Name: N-butyl-3-(chloromethyl)-1-keto-4-oxido-quinoxalin-1-ium-2-carboxamide Formula: C14H16ClN3O3 MolecularWeight: 309.74814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CCl

Isomeric SMILES

CCCCNC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CCl

InChI

InChI=1S/C14H16ClN3O3/c1-2-3-8-16-14(19)13-12(9-15)17(20)10-6-4-5-7-11(10)18(13)21/h4-7H,2-3,8-9H2,1H3,(H,16,19)