(3-nitrophenyl) 2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: (3-nitrophenyl) 2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: (3-nitrophenyl) 2-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]nicotinic acid (3-nitrophenyl) ester Formula: C21H16ClN3O5S MolecularWeight: 457.88684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H16ClN3O5S/c1-13-7-8-14(10-18(13)22)24-19(26)12-31-20-17(6-3-9-23-20)21(27)30-16-5-2-4-15(11-16)25(28)29/h2-11H,12H2,1H3,(H,24,26)