[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 3-(3,5-dimethylisoxazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)propanoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethylisoxazol-4-yl)propionic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H16N4O6 MolecularWeight: 372.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H16N4O6/c1-10-14(11(2)27-20-10)4-6-17(23)26-9-16(22)19-15-5-3-13(21(24)25)7-12(15)8-18/h3,5,7H,4,6,9H2,1-2H3,(H,19,22)