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

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3,5-trimethylpyrazol-4-yl)ethanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(1,3,5-trimethylpyrazol-4-yl)acetate CAS Name: 2-(1,3,5-trimethyl-4-pyrazolyl)acetic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-(1,3,5-trimethylpyrazol-4-yl)acetate Traditional Name: 2-(1,3,5-trimethylpyrazol-4-yl)acetic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6/c1-10-14(11(2)21(4)20-10)9-17(23)28-12(3)18(24)19-15-8-13(22(25)26)6-7-16(15)27-5/h6-8,12H,9H2,1-5H3,(H,19,24)