4-[[3-(dimethylazaniumyl)-2,2-dimethyl-propyl]amino]-3-nitro-benzoate

Systemtic Name: 4-[[3-(dimethylazaniumyl)-2,2-dimethyl-propyl]amino]-3-nitro-benzoate Openeye Name: 4-[[3-(dimethylammonio)-2,2-dimethyl-propyl]amino]-3-nitro-benzoate CAS Name: 4-[[3-(dimethylammonio)-2,2-dimethylpropyl]amino]-3-nitrobenzoate IUPAC Name: 4-[[3-(dimethylazaniumyl)-2,2-dimethylpropyl]amino]-3-nitrobenzoate Traditional Name: 4-[[3-(dimethylammonio)-2,2-dimethyl-propyl]amino]-3-nitro-benzoate Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-])C[NH+](C)C

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-])C[NH+](C)C

InChI

InChI=1S/C14H21N3O4/c1-14(2,9-16(3)4)8-15-11-6-5-10(13(18)19)7-12(11)17(20)21/h5-7,15H,8-9H2,1-4H3,(H,18,19)