4-acetamido-2-ethyl-3-nitro-benzoic acid

Systemtic Name: 4-acetamido-2-ethyl-3-nitro-benzoic acid Openeye Name: 4-acetamido-2-ethyl-3-nitro-benzoic acid CAS Name: 4-acetamido-2-ethyl-3-nitrobenzoic acid IUPAC Name: 4-acetamido-2-ethyl-3-nitrobenzoic acid Traditional Name: 4-acetamido-2-ethyl-3-nitro-benzoic acid Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5/c1-3-7-8(11(15)16)4-5-9(12-6(2)14)10(7)13(17)18/h4-5H,3H2,1-2H3,(H,12,14)(H,15,16)