1-[3-[(6-methyl-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl]pyrrolidine-3-carbonitrile

Systemtic Name: 1-[3-[(6-methyl-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl]pyrrolidine-3-carbonitrile Openeye Name: 1-[3-[(4-hydroxy-6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl]pyrrolidine-3-carbonitrile CAS Name: 1-[3-[(4-hydroxy-6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl]-3-pyrrolidinecarbonitrile IUPAC Name: 1-[3-[(4-hydroxy-6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl]pyrrolidine-3-carbonitrile Traditional Name: 1-[3-[(4-hydroxy-6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl]pyrrolidine-3-carbonitrile Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=NC(=NCCCN3CCC(C3)C#N)N2O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=NC(=NCCCN3CCC(C3)C#N)N2O)[O-]

InChI

InChI=1S/C16H20N6O2/c1-12-3-4-14-15(9-12)21(23)16(19-22(14)24)18-6-2-7-20-8-5-13(10-17)11-20/h3-4,9,13,23H,2,5-8,11H2,1H3