3-carboxy-2-methyl-5-nitro-N-pyridin-2-yl-benzonitrilium

Systemtic Name: 3-carboxy-2-methyl-5-nitro-N-pyridin-2-yl-benzonitrilium Openeye Name: 3-carboxy-2-methyl-5-nitro-N-(2-pyridyl)benzonitrilium CAS Name: 3-carboxy-2-methyl-5-nitro-N-(2-pyridinyl)benzonitrilium IUPAC Name: 3-carboxy-2-methyl-5-nitro-N-pyridin-2-ylbenzonitrilium Traditional Name: 3-carboxy-2-methyl-5-nitro-N-(2-pyridyl)benzonitrilium Formula: C14H10N3O4+ MolecularWeight: 284.2469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C#[N+]C2=CC=CC=N2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1C#[N+]C2=CC=CC=N2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H9N3O4/c1-9-10(8-16-13-4-2-3-5-15-13)6-11(17(20)21)7-12(9)14(18)19/h2-7H,1H3/p+1