[(3E)-2-methyl-3-nitroimino-butan-2-yl] benzoate

Systemtic Name: [(3E)-2-methyl-3-nitroimino-butan-2-yl] benzoate Openeye Name: [(2E)-1,1-dimethyl-2-nitroimino-propyl] benzoate CAS Name: benzoic acid [(3E)-2-methyl-3-nitroiminobutan-2-yl] ester IUPAC Name: [(3E)-2-methyl-3-nitroiminobutan-2-yl] benzoate Traditional Name: benzoic acid [(2E)-1,1-dimethyl-2-nitroimino-propyl] ester Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=N\[N+](=O)[O-])/C(C)(C)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H14N2O4/c1-9(13-14(16)17)12(2,3)18-11(15)10-7-5-4-6-8-10/h4-8H,1-3H3/b13-9+