4-[1,1-bis(oxidanidyl)prop-1-en-2-yl-ethyl-amino]benzoate

Systemtic Name: 4-[1,1-bis(oxidanidyl)prop-1-en-2-yl-ethyl-amino]benzoate Openeye Name: 4-[ethyl-(1-methyl-2,2-dioxido-vinyl)amino]benzoate CAS Name: 4-[1,1-dioxidoprop-1-en-2-yl(ethyl)amino]benzoate IUPAC Name: 4-[1,1-dioxidoprop-1-en-2-yl(ethyl)amino]benzoate Traditional Name: 4-[ethyl-(1-methyl-2,2-dioxido-vinyl)amino]benzoate Formula: C12H11NO4-4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C([O-])[O-])N(C[CH2-])C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(=C([O-])[O-])N(C[CH2-])C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C12H14NO4/c1-3-13(8(2)11(14)15)10-6-4-9(5-7-10)12(16)17/h4-7,14-15H,1,3H2,2H3,(H,16,17)/q-1/p-3