2-[[4-(hydroxymethyl)-2-nitro-phenyl]amino]butanoic acid

Systemtic Name: 2-[[4-(hydroxymethyl)-2-nitro-phenyl]amino]butanoic acid Openeye Name: 2-[4-(hydroxymethyl)-2-nitro-anilino]butanoic acid CAS Name: 2-[4-(hydroxymethyl)-2-nitroanilino]butanoic acid IUPAC Name: 2-[4-(hydroxymethyl)-2-nitroanilino]butanoic acid Traditional Name: 2-(4-methylol-2-nitro-anilino)butyric acid Formula: C11H14N2O5 MolecularWeight: 254.23926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O5/c1-2-8(11(15)16)12-9-4-3-7(6-14)5-10(9)13(17)18/h3-5,8,12,14H,2,6H2,1H3,(H,15,16)