3-acetamido-4-(2-nitroethyl)benzoic acid

Systemtic Name: 3-acetamido-4-(2-nitroethyl)benzoic acid Openeye Name: 3-acetamido-4-(2-nitroethyl)benzoic acid CAS Name: 3-acetamido-4-(2-nitroethyl)benzoic acid IUPAC Name: 3-acetamido-4-(2-nitroethyl)benzoic acid Traditional Name: 3-acetamido-4-(2-nitroethyl)benzoic acid Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5/c1-7(14)12-10-6-9(11(15)16)3-2-8(10)4-5-13(17)18/h2-3,6H,4-5H2,1H3,(H,12,14)(H,15,16)