2-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 2-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-(2-methyl-3-nitroanilino)-2-oxoethyl]thio]propanamide IUPAC Name: 2-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[2-keto-2-(2-methyl-3-nitro-anilino)ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N4O5S/c1-9-7-14(19-25-9)18-16(22)11(3)26-8-15(21)17-12-5-4-6-13(10(12)2)20(23)24/h4-7,11H,8H2,1-3H3,(H,17,21)(H,18,19,22)