2-ethyl-4-nitro-3-(propanoylamino)benzoate

Systemtic Name: 2-ethyl-4-nitro-3-(propanoylamino)benzoate Openeye Name: 2-ethyl-4-nitro-3-(propanoylamino)benzoate CAS Name: 2-ethyl-4-nitro-3-(1-oxopropylamino)benzoate IUPAC Name: 2-ethyl-4-nitro-3-(propanoylamino)benzoate Traditional Name: 2-ethyl-4-nitro-3-propionamido-benzoate Formula: C12H13N2O5- MolecularWeight: 265.24202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1NC(=O)CC)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1NC(=O)CC)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H14N2O5/c1-3-7-8(12(16)17)5-6-9(14(18)19)11(7)13-10(15)4-2/h5-6H,3-4H2,1-2H3,(H,13,15)(H,16,17)/p-1