[(1-nitro-5-phenyl-pentan-3-yl)-oxidanylidene-azaniumyl]methanoate

Systemtic Name: [(1-nitro-5-phenyl-pentan-3-yl)-oxidanylidene-azaniumyl]methanoate Openeye Name: [[1-(2-nitroethyl)-3-phenyl-propyl]-oxo-ammonio]formate CAS Name: [(1-nitro-5-phenylpentan-3-yl)-oxoammonio]formate IUPAC Name: [(1-nitro-5-phenylpentan-3-yl)-oxoazaniumyl]formate Traditional Name: [keto-[1-(2-nitroethyl)-3-phenyl-propyl]ammonio]formate Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CC[N+](=O)[O-])[N+](=O)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(CC[N+](=O)[O-])[N+](=O)C(=O)[O-]

InChI

InChI=1S/C12H14N2O5/c15-12(16)14(19)11(8-9-13(17)18)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2