2-[2-(dimethylazaniumyl)ethylamino]-5-nitro-benzoate

Systemtic Name: 2-[2-(dimethylazaniumyl)ethylamino]-5-nitro-benzoate Openeye Name: 2-[2-(dimethylammonio)ethylamino]-5-nitro-benzoate CAS Name: 2-[2-(dimethylammonio)ethylamino]-5-nitrobenzoate IUPAC Name: 2-[2-(dimethylazaniumyl)ethylamino]-5-nitrobenzoate Traditional Name: 2-[2-(dimethylammonio)ethylamino]-5-nitro-benzoate Formula: C11H15N3O4 MolecularWeight: 253.2545

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H15N3O4/c1-13(2)6-5-12-10-4-3-8(14(17)18)7-9(10)11(15)16/h3-4,7,12H,5-6H2,1-2H3,(H,15,16)