7-[(3-nitropyridin-2-yl)amino]heptanoic acid

Systemtic Name: 7-[(3-nitropyridin-2-yl)amino]heptanoic acid Openeye Name: 7-[(3-nitro-2-pyridyl)amino]heptanoic acid CAS Name: 7-[(3-nitro-2-pyridinyl)amino]heptanoic acid IUPAC Name: 7-[(3-nitropyridin-2-yl)amino]heptanoic acid Traditional Name: 7-[(3-nitro-2-pyridyl)amino]enanthic acid Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4/c16-11(17)7-3-1-2-4-8-13-12-10(15(18)19)6-5-9-14-12/h5-6,9H,1-4,7-8H2,(H,13,14)(H,16,17)