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

Systemtic Name: 2-[2-[3-[(2-chloranyl-4-nitro-phenyl)amino]propylamino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[3-(2-chloro-4-nitro-anilino)propylamino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[3-(2-chloro-4-nitroanilino)propylamino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[3-(2-chloro-4-nitroanilino)propylamino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[3-(2-chloro-4-nitro-anilino)propylamino]-2-keto-ethyl]thio]nicotinic acid Formula: C17H17ClN4O5S MolecularWeight: 424.85868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C17H17ClN4O5S/c18-13-9-11(22(26)27)4-5-14(13)19-7-2-8-20-15(23)10-28-16-12(17(24)25)3-1-6-21-16/h1,3-6,9,19H,2,7-8,10H2,(H,20,23)(H,24,25)