4-(3-nitrophenyl)-2,5-dihydro-1H-1,2,4,6-tetrazepin-4-ium

Systemtic Name: 4-(3-nitrophenyl)-2,5-dihydro-1H-1,2,4,6-tetrazepin-4-ium Openeye Name: 4-(3-nitrophenyl)-2,5-dihydro-1H-1,2,4,6-tetrazepin-4-ium CAS Name: 4-(3-nitrophenyl)-2,5-dihydro-1H-1,2,4,6-tetrazepin-4-ium IUPAC Name: 4-(3-nitrophenyl)-2,5-dihydro-1H-1,2,4,6-tetrazepin-4-ium Traditional Name: 4-(3-nitrophenyl)-2,5-dihydro-1H-1,2,4,6-tetrazepin-4-ium Formula: C9H10N5O2+ MolecularWeight: 220.208

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Descriptors Computed from Structure

Canonical SMILES:

C1N=CNNC=[N+]1C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1N=CNNC=[N+]1C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H9N5O2/c15-14(16)9-3-1-2-8(4-9)13-6-10-5-11-12-7-13/h1-5,7H,6H2,(H,10,11)/p+1