4-[[5-nitro-6-[(4-oxidanyl-4-oxidanylidene-butyl)amino]pyridin-2-yl]amino]butanoic acid

Systemtic Name: 4-[[5-nitro-6-[(4-oxidanyl-4-oxidanylidene-butyl)amino]pyridin-2-yl]amino]butanoic acid Openeye Name: 4-[[6-[(4-hydroxy-4-oxo-butyl)amino]-5-nitro-2-pyridyl]amino]butanoic acid CAS Name: 4-[[6-[(4-hydroxy-4-oxobutyl)amino]-5-nitro-2-pyridinyl]amino]butanoic acid IUPAC Name: 4-[[6-[(4-hydroxy-4-oxobutyl)amino]-5-nitropyridin-2-yl]amino]butanoic acid Traditional Name: 4-[[6-[(4-hydroxy-4-keto-butyl)amino]-5-nitro-2-pyridyl]amino]butyric acid Formula: C13H18N4O6 MolecularWeight: 326.30522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O6/c18-11(19)3-1-7-14-10-6-5-9(17(22)23)13(16-10)15-8-2-4-12(20)21/h5-6H,1-4,7-8H2,(H,18,19)(H,20,21)(H2,14,15,16)