4-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]butanoate

Systemtic Name: 4-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]butanoate Openeye Name: 4-[[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]amino]butanoate CAS Name: 4-[[(2S)-2-[(5-nitro-2-pyridinyl)amino]-1-oxopropyl]amino]butanoate IUPAC Name: 4-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]amino]butyrate Formula: C12H15N4O5- MolecularWeight: 295.2713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC(=O)[O-])NC1=NC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCCCC(=O)[O-])NC1=NC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O5/c1-8(12(19)13-6-2-3-11(17)18)15-10-5-4-9(7-14-10)16(20)21/h4-5,7-8H,2-3,6H2,1H3,(H,13,19)(H,14,15)(H,17,18)/p-1/t8-/m0/s1