methyl 4-acetamido-3-(2-nitro-1-oxidanyl-ethyl)benzoate

Systemtic Name: methyl 4-acetamido-3-(2-nitro-1-oxidanyl-ethyl)benzoate Openeye Name: methyl 4-acetamido-3-(1-hydroxy-2-nitro-ethyl)benzoate CAS Name: 4-acetamido-3-(1-hydroxy-2-nitroethyl)benzoic acid methyl ester IUPAC Name: methyl 4-acetamido-3-(1-hydroxy-2-nitroethyl)benzoate Traditional Name: 4-acetamido-3-(1-hydroxy-2-nitro-ethyl)benzoic acid methyl ester Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)C(C[N+](=O)[O-])O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)C(C[N+](=O)[O-])O

InChI

InChI=1S/C12H14N2O6/c1-7(15)13-10-4-3-8(12(17)20-2)5-9(10)11(16)6-14(18)19/h3-5,11,16H,6H2,1-2H3,(H,13,15)