4-[2-(diethylazaniumyl)ethylamino]-3-nitro-benzoate

Systemtic Name: 4-[2-(diethylazaniumyl)ethylamino]-3-nitro-benzoate Openeye Name: 4-[2-(diethylammonio)ethylamino]-3-nitro-benzoate CAS Name: 4-[2-(diethylammonio)ethylamino]-3-nitrobenzoate IUPAC Name: 4-[2-(diethylazaniumyl)ethylamino]-3-nitrobenzoate Traditional Name: 4-[2-(diethylammonio)ethylamino]-3-nitro-benzoate Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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