2-[ethanoyl-(4-nitrophenyl)amino]butanoic acid

Systemtic Name: 2-[ethanoyl-(4-nitrophenyl)amino]butanoic acid Openeye Name: 2-(N-acetyl-4-nitro-anilino)butanoic acid CAS Name: 2-(N-acetyl-4-nitroanilino)butanoic acid IUPAC Name: 2-(N-acetyl-4-nitroanilino)butanoic acid Traditional Name: 2-(N-acetyl-4-nitro-anilino)butyric acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-3-11(12(16)17)13(8(2)15)9-4-6-10(7-5-9)14(18)19/h4-7,11H,3H2,1-2H3,(H,16,17)