5-nitro-2,4-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-4-ium; prop-2-enoate

Systemtic Name: 5-nitro-2,4-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-4-ium; prop-2-enoate Openeye Name: 5-nitro-2,4-diphenyl-1,3-dihydrotetrazol-4-ium; prop-2-enoate CAS Name: 5-nitro-2,4-diphenyl-1,3-dihydrotetrazol-4-ium; 2-propenoate IUPAC Name: 5-nitro-2,4-diphenyl-1,3-dihydrotetrazol-4-ium; prop-2-enoate Traditional Name: acrylate; 5-nitro-2,4-diphenyl-1,3-dihydrotetrazol-4-ium Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)[O-].C1=CC=C(C=C1)N2NC(=[N+](N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CC(=O)[O-].C1=CC=C(C=C1)N2NC(=[N+](N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O2.C3H4O2/c19-18(20)13-14-17(12-9-5-2-6-10-12)15-16(13)11-7-3-1-4-8-11;1-2-3(4)5/h1-10,15H;2H,1H2,(H,4,5)