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

Systemtic Name: 3-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]benzoate Openeye Name: 3-[[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]amino]benzoate CAS Name: 3-[[(2S)-2-[(5-nitro-2-pyridinyl)amino]-1-oxopropyl]amino]benzoate IUPAC Name: 3-[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]benzoate Traditional Name: 3-[[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]amino]benzoate Formula: C15H13N4O5- MolecularWeight: 329.28752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)[O-])NC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)[O-])NC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O5/c1-9(17-13-6-5-12(8-16-13)19(23)24)14(20)18-11-4-2-3-10(7-11)15(21)22/h2-9H,1H3,(H,16,17)(H,18,20)(H,21,22)/p-1/t9-/m0/s1