3-cyano-2-[3-methyl-1,4-bis(oxidanidyl)-4H-quinoxaline-1,4-diium-1-yl]propanamide

Systemtic Name: 3-cyano-2-[3-methyl-1,4-bis(oxidanidyl)-4H-quinoxaline-1,4-diium-1-yl]propanamide Openeye Name: 3-cyano-2-(3-methyl-1,4-dioxido-4H-quinoxaline-1,4-diium-1-yl)propanamide CAS Name: 3-cyano-2-(3-methyl-1,4-dioxido-4H-quinoxaline-1,4-diium-1-yl)propanamide IUPAC Name: 3-cyano-2-(3-methyl-1,4-dioxido-4H-quinoxaline-1,4-diium-1-yl)propanamide Traditional Name: 3-cyano-2-(3-methyl-1,4-dioxido-4H-quinoxaline-1,4-diium-1-yl)propionamide Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](C2=CC=CC=C2[NH+]1[O-])(C(CC#N)C(=O)N)[O-]

Isomeric SMILES

CC1=C[N+](C2=CC=CC=C2[NH+]1[O-])(C(CC#N)C(=O)N)[O-]

InChI

InChI=1S/C13H14N4O3/c1-9-8-17(20,12(6-7-14)13(15)18)11-5-3-2-4-10(11)16(9)19/h2-5,8,12,16H,6H2,1H3,(H2,15,18)