3-nitro-4-(phenylazaniumyl)benzoate

Systemtic Name: 3-nitro-4-(phenylazaniumyl)benzoate Openeye Name: 3-nitro-4-(phenylammonio)benzoate CAS Name: 3-nitro-4-(phenylammonio)benzoate IUPAC Name: 3-nitro-4-(phenylazaniumyl)benzoate Traditional Name: 3-nitro-4-(phenylammonio)benzoate Formula: C13H10N2O4 MolecularWeight: 258.2295

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[NH2+]C2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[NH2+]C2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O4/c16-13(17)9-6-7-11(12(8-9)15(18)19)14-10-4-2-1-3-5-10/h1-8,14H,(H,16,17)