(2S)-3-(4-hydroxyphenyl)-2-[(5-nitropyridin-2-yl)amino]propanoic acid

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-[(5-nitropyridin-2-yl)amino]propanoic acid Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-[(5-nitro-2-pyridyl)amino]propanoic acid CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[(5-nitro-2-pyridinyl)amino]propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-[(5-nitropyridin-2-yl)amino]propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[(5-nitro-2-pyridyl)amino]propionic acid Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC2=NC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)NC2=NC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H13N3O5/c18-11-4-1-9(2-5-11)7-12(14(19)20)16-13-6-3-10(8-15-13)17(21)22/h1-6,8,12,18H,7H2,(H,15,16)(H,19,20)/t12-/m0/s1