[(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)OC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)OC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O6/c1-10-6-7-15(27-5)14(8-10)19-18(24)13(4)28-16(23)9-21-12(3)17(22(25)26)11(2)20-21/h6-8,13H,9H2,1-5H3,(H,19,24)/t13-/m0/s1