7-nitro-1-oxidanidyl-4-oxidanyl-N-(phenylmethyl)-1,2,4-benzotriazin-1-ium-3-imine

Systemtic Name: 7-nitro-1-oxidanidyl-4-oxidanyl-N-(phenylmethyl)-1,2,4-benzotriazin-1-ium-3-imine Openeye Name: N-benzyl-4-hydroxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-imine CAS Name: 4-hydroxy-7-nitro-1-oxido-N-(phenylmethyl)-1,2,4-benzotriazin-1-ium-3-imine IUPAC Name: N-benzyl-4-hydroxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-imine Traditional Name: benzyl-(4-hydroxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amine Formula: C14H11N5O4 MolecularWeight: 313.26824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN=C2N=[N+](C3=C(N2O)C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN=C2N=[N+](C3=C(N2O)C=CC(=C3)[N+](=O)[O-])[O-]

InChI

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