2-ethyl-3-nitro-4-(propanoylamino)benzoic acid

Systemtic Name: 2-ethyl-3-nitro-4-(propanoylamino)benzoic acid Openeye Name: 2-ethyl-3-nitro-4-(propanoylamino)benzoic acid CAS Name: 2-ethyl-3-nitro-4-(1-oxopropylamino)benzoic acid IUPAC Name: 2-ethyl-3-nitro-4-(propanoylamino)benzoic acid Traditional Name: 2-ethyl-3-nitro-4-propionamido-benzoic acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1[N+](=O)[O-])NC(=O)CC)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1[N+](=O)[O-])NC(=O)CC)C(=O)O

InChI

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