[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C19H24N4O6 MolecularWeight: 404.41706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H24N4O6/c1-11-15(12(2)22(4)21-11)7-9-18(24)29-13(3)19(25)20-16-10-14(23(26)27)6-8-17(16)28-5/h6,8,10,13H,7,9H2,1-5H3,(H,20,25)