2-[[3-(dimethylazaniumyl)-2,2-dimethyl-propyl]amino]-5-nitro-benzoate

Systemtic Name: 2-[[3-(dimethylazaniumyl)-2,2-dimethyl-propyl]amino]-5-nitro-benzoate Openeye Name: 2-[[3-(dimethylammonio)-2,2-dimethyl-propyl]amino]-5-nitro-benzoate CAS Name: 2-[[3-(dimethylammonio)-2,2-dimethylpropyl]amino]-5-nitrobenzoate IUPAC Name: 2-[[3-(dimethylazaniumyl)-2,2-dimethylpropyl]amino]-5-nitrobenzoate Traditional Name: 2-[[3-(dimethylammonio)-2,2-dimethyl-propyl]amino]-5-nitro-benzoate Formula: C14H21N3O4 MolecularWeight: 295.33424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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