2-[3-(diethylazaniumyl)propylamino]-5-nitro-benzoate

Systemtic Name: 2-[3-(diethylazaniumyl)propylamino]-5-nitro-benzoate Openeye Name: 2-[3-(diethylammonio)propylamino]-5-nitro-benzoate CAS Name: 2-[3-(diethylammonio)propylamino]-5-nitrobenzoate IUPAC Name: 2-[3-(diethylazaniumyl)propylamino]-5-nitrobenzoate Traditional Name: 2-[3-(diethylammonio)propylamino]-5-nitro-benzoate Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H21N3O4/c1-3-16(4-2)9-5-8-15-13-7-6-11(17(20)21)10-12(13)14(18)19/h6-7,10,15H,3-5,8-9H2,1-2H3,(H,18,19)