[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S/c1-14-9-10-17(18(12-14)24(27)28)23-19(25)13-29-21(26)16-8-5-11-22-20(16)30-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,23,25)