(2S)-3-(4-hydroxyphenyl)-2-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]propanoate

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]propanoate Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]propanoate IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]propionate Formula: C14H12N3O6- MolecularWeight: 318.26158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)[O-])NC(=O)C2=CC(=CN2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)[O-])NC(=O)C2=CC(=CN2)[N+](=O)[O-])O

InChI

InChI=1S/C14H13N3O6/c18-10-3-1-8(2-4-10)5-12(14(20)21)16-13(19)11-6-9(7-15-11)17(22)23/h1-4,6-7,12,15,18H,5H2,(H,16,19)(H,20,21)/p-1/t12-/m0/s1