4-[[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]amino]methyl]benzoic acid CAS Name: 4-[[[(2S)-2-[(5-nitro-2-pyridinyl)amino]-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(2S)-2-[(5-nitropyridin-2-yl)amino]propanoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(2S)-2-[(5-nitro-2-pyridyl)amino]propanoyl]amino]methyl]benzoic acid Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)O)NC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)C(=O)O)NC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O5/c1-10(19-14-7-6-13(9-17-14)20(24)25)15(21)18-8-11-2-4-12(5-3-11)16(22)23/h2-7,9-10H,8H2,1H3,(H,17,19)(H,18,21)(H,22,23)/t10-/m0/s1