4-(2-carboxyethyl)-N-(3,5-dinitropyridin-2-yl)benzonitrilium

Systemtic Name: 4-(2-carboxyethyl)-N-(3,5-dinitropyridin-2-yl)benzonitrilium Openeye Name: 4-(2-carboxyethyl)-N-(3,5-dinitro-2-pyridyl)benzonitrilium CAS Name: 4-(2-carboxyethyl)-N-(3,5-dinitro-2-pyridinyl)benzonitrilium IUPAC Name: 4-(2-carboxyethyl)-N-(3,5-dinitropyridin-2-yl)benzonitrilium Traditional Name: 4-(2-carboxyethyl)-N-(3,5-dinitro-2-pyridyl)benzonitrilium Formula: C15H11N4O6+ MolecularWeight: 343.27104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C#[N+]C2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C#[N+]C2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O6/c20-14(21)6-5-10-1-3-11(4-2-10)8-16-15-13(19(24)25)7-12(9-17-15)18(22)23/h1-4,7,9H,5-6H2/p+1