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

Systemtic Name: 5-[3-(dimethylazaniumyl)propylamino]-2-nitro-benzoate Openeye Name: 5-[3-(dimethylammonio)propylamino]-2-nitro-benzoate CAS Name: 5-[3-(dimethylammonio)propylamino]-2-nitrobenzoate IUPAC Name: 5-[3-(dimethylazaniumyl)propylamino]-2-nitrobenzoate Traditional Name: 5-[3-(dimethylammonio)propylamino]-2-nitro-benzoate Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4/c1-14(2)7-3-6-13-9-4-5-11(15(18)19)10(8-9)12(16)17/h4-5,8,13H,3,6-7H2,1-2H3,(H,16,17)