N-[(4-nitrophenyl)methyl]-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-imine

Systemtic Name: N-[(4-nitrophenyl)methyl]-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-imine Openeye Name: 4-hydroxy-N-[(4-nitrophenyl)methyl]-1-oxido-1,2,4-benzotriazin-1-ium-3-imine CAS Name: 4-hydroxy-N-[(4-nitrophenyl)methyl]-1-oxido-1,2,4-benzotriazin-1-ium-3-imine IUPAC Name: 4-hydroxy-N-[(4-nitrophenyl)methyl]-1-oxido-1,2,4-benzotriazin-1-ium-3-imine Traditional Name: (4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)-(4-nitrobenzyl)amine Formula: C14H11N5O4 MolecularWeight: 313.26824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=NCC3=CC=C(C=C3)[N+](=O)[O-])N=[N+]2[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=NCC3=CC=C(C=C3)[N+](=O)[O-])N=[N+]2[O-])O

InChI

InChI=1S/C14H11N5O4/c20-17-12-3-1-2-4-13(12)18(21)16-14(17)15-9-10-5-7-11(8-6-10)19(22)23/h1-8,20H,9H2