2-[2-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[2-(2-chloro-4-nitro-anilino)ethylamino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[2-(2-chloro-4-nitroanilino)ethylamino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[2-(2-chloro-4-nitroanilino)ethylamino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[2-(2-chloro-4-nitro-anilino)ethylamino]-2-keto-ethyl]thio]nicotinic acid Formula: C16H15ClN4O5S MolecularWeight: 410.8321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C16H15ClN4O5S/c17-12-8-10(21(25)26)3-4-13(12)18-6-7-19-14(22)9-27-15-11(16(23)24)2-1-5-20-15/h1-5,8,18H,6-7,9H2,(H,19,22)(H,23,24)