carboxy-(1-nitro-5-phenyl-pentan-3-yl)-oxidanylidene-azanium

Systemtic Name: carboxy-(1-nitro-5-phenyl-pentan-3-yl)-oxidanylidene-azanium Openeye Name: carboxy-[1-(2-nitroethyl)-3-phenyl-propyl]-oxo-ammonium CAS Name: carboxy-(1-nitro-5-phenylpentan-3-yl)-oxoammonium IUPAC Name: carboxy-(1-nitro-5-phenylpentan-3-yl)-oxoazanium Traditional Name: carboxy-keto-[1-(2-nitroethyl)-3-phenyl-propyl]ammonium Formula: C12H15N2O5+ MolecularWeight: 267.2579

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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/p+1