2-[3-[(5-nitropyridin-2-yl)amino]pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-[3-[(5-nitropyridin-2-yl)amino]pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-[[3-[(5-nitro-2-pyridyl)amino]-2-pyridyl]sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[[3-[(5-nitro-2-pyridinyl)amino]-2-pyridinyl]thio]-2-phenylacetic acid IUPAC Name: 2-[3-[(5-nitropyridin-2-yl)amino]pyridin-2-yl]sulfanyl-2-phenylacetic acid Traditional Name: 2-[[3-[(5-nitro-2-pyridyl)amino]-2-pyridyl]thio]-2-phenyl-acetic acid Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=C(C=CC=N2)NC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=C(C=CC=N2)NC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O4S/c23-18(24)16(12-5-2-1-3-6-12)27-17-14(7-4-10-19-17)21-15-9-8-13(11-20-15)22(25)26/h1-11,16H,(H,20,21)(H,23,24)