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

Systemtic Name: 2-[2-(diethylazaniumyl)ethylamino]-5-nitro-benzoate Openeye Name: 2-[2-(diethylammonio)ethylamino]-5-nitro-benzoate CAS Name: 2-[2-(diethylammonio)ethylamino]-5-nitrobenzoate IUPAC Name: 2-[2-(diethylazaniumyl)ethylamino]-5-nitrobenzoate Traditional Name: 2-[2-(diethylammonio)ethylamino]-5-nitro-benzoate Formula: C13H19N3O4 MolecularWeight: 281.30766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4/c1-3-15(4-2)8-7-14-12-6-5-10(16(19)20)9-11(12)13(17)18/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,17,18)