2-[2-(butylamino)-5-nitro-pyridin-4-yl]ethanoic acid

Systemtic Name: 2-[2-(butylamino)-5-nitro-pyridin-4-yl]ethanoic acid Openeye Name: 2-[2-(butylamino)-5-nitro-4-pyridyl]acetic acid CAS Name: 2-[2-(butylamino)-5-nitro-4-pyridinyl]acetic acid IUPAC Name: 2-[2-(butylamino)-5-nitropyridin-4-yl]acetic acid Traditional Name: 2-[2-(butylamino)-5-nitro-4-pyridyl]acetic acid Formula: C11H15N3O4 MolecularWeight: 253.2545

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=C(C(=C1)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=NC=C(C(=C1)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O4/c1-2-3-4-12-10-5-8(6-11(15)16)9(7-13-10)14(17)18/h5,7H,2-4,6H2,1H3,(H,12,13)(H,15,16)