N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide

Systemtic Name: N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide Openeye Name: N-[(1S)-1-[5-methyl-1-(o-tolyl)pyrazol-4-yl]ethyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide CAS Name: N-[(1S)-1-[5-methyl-1-(2-methylphenyl)-4-pyrazolyl]ethyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide IUPAC Name: N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide Traditional Name: N-[(1S)-1-[5-methyl-1-(o-tolyl)pyrazol-4-yl]ethyl]-1-oxido-benzofurazan-1-ium-5-carboxamide Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(C)NC(=O)C3=CC4=NO[N+](=C4C=C3)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)[C@H](C)NC(=O)C3=CC4=NO[N+](=C4C=C3)[O-])C

InChI

InChI=1S/C20H19N5O3/c1-12-6-4-5-7-18(12)24-14(3)16(11-21-24)13(2)22-20(26)15-8-9-19-17(10-15)23-28-25(19)27/h4-11,13H,1-3H3,(H,22,26)/t13-/m0/s1