5-nitro-2-phenyl-4-(phenylmethyl)imino-pyridazin-2-ium-3-one

Systemtic Name: 5-nitro-2-phenyl-4-(phenylmethyl)imino-pyridazin-2-ium-3-one Openeye Name: 4-benzylimino-5-nitro-2-phenyl-pyridazin-2-ium-3-one CAS Name: 5-nitro-2-phenyl-4-(phenylmethyl)imino-3-pyridazin-2-iumone IUPAC Name: 4-benzylimino-5-nitro-2-phenylpyridazin-2-ium-3-one Traditional Name: 4-benzylimino-5-nitro-2-phenyl-pyridazin-2-ium-3-one Formula: C17H13N4O3+ MolecularWeight: 321.31012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN=C2C(=CN=[N+](C2=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN=C2C(=CN=[N+](C2=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N4O3/c22-17-16(18-11-13-7-3-1-4-8-13)15(21(23)24)12-19-20(17)14-9-5-2-6-10-14/h1-10,12H,11H2/q+1