4-methyl-3-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]benzoate

Systemtic Name: 4-methyl-3-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]benzoate Openeye Name: 4-methyl-3-[[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]amino]benzoate CAS Name: 4-methyl-3-[[(2S)-2-[(5-nitro-2-pyridinyl)amino]-1-oxopropyl]amino]benzoate IUPAC Name: 4-methyl-3-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]benzoate Traditional Name: 4-methyl-3-[[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]amino]benzoate Formula: C16H15N4O5- MolecularWeight: 343.3141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C(C)NC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)[C@H](C)NC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O5/c1-9-3-4-11(16(22)23)7-13(9)19-15(21)10(2)18-14-6-5-12(8-17-14)20(24)25/h3-8,10H,1-2H3,(H,17,18)(H,19,21)(H,22,23)/p-1/t10-/m0/s1