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

Systemtic Name: 4-[[(2S)-2-(5-nitropyridin-2-yl)sulfanylpropanoyl]amino]benzoic acid Openeye Name: 4-[[(2S)-2-[(5-nitro-2-pyridyl)sulfanyl]propanoyl]amino]benzoic acid CAS Name: 4-[[(2S)-2-[(5-nitro-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[[(2S)-2-(5-nitropyridin-2-yl)sulfanylpropanoyl]amino]benzoic acid Traditional Name: 4-[[(2S)-2-[(5-nitro-2-pyridyl)thio]propanoyl]amino]benzoic acid Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5S/c1-9(24-13-7-6-12(8-16-13)18(22)23)14(19)17-11-4-2-10(3-5-11)15(20)21/h2-9H,1H3,(H,17,19)(H,20,21)/t9-/m0/s1