4-[(3-nitropyridin-1-ium-2-yl)amino]butanoate

Systemtic Name: 4-[(3-nitropyridin-1-ium-2-yl)amino]butanoate Openeye Name: 4-[(3-nitropyridin-1-ium-2-yl)amino]butanoate CAS Name: 4-[(3-nitro-2-pyridin-1-iumyl)amino]butanoate IUPAC Name: 4-[(3-nitropyridin-1-ium-2-yl)amino]butanoate Traditional Name: 4-[(3-nitropyridin-1-ium-2-yl)amino]butyrate Formula: C9H11N3O4 MolecularWeight: 225.20134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N3O4/c13-8(14)4-2-6-11-9-7(12(15)16)3-1-5-10-9/h1,3,5H,2,4,6H2,(H,10,11)(H,13,14)