2-acetamido-3-(nitromethyl)benzoic acid

Systemtic Name: 2-acetamido-3-(nitromethyl)benzoic acid Openeye Name: 2-acetamido-3-(nitromethyl)benzoic acid CAS Name: 2-acetamido-3-(nitromethyl)benzoic acid IUPAC Name: 2-acetamido-3-(nitromethyl)benzoic acid Traditional Name: 2-acetamido-3-(nitromethyl)benzoic acid Formula: C10H10N2O5 MolecularWeight: 238.1968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC=C1C[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=CC=C1C[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H10N2O5/c1-6(13)11-9-7(5-12(16)17)3-2-4-8(9)10(14)15/h2-4H,5H2,1H3,(H,11,13)(H,14,15)