[(2R)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [(2R)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [(1R)-1-methyl-2-(2-naphthylamino)-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 [(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(naphthalen-2-ylamino)-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 [(1R)-2-keto-1-methyl-2-(2-naphthylamino)ethyl] ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OC(C)C(=O)NC2=CC3=CC=CC=C3C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O[C@H](C)C(=O)NC2=CC3=CC=CC=C3C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5/c1-12-19(24(27)28)13(2)23(22-12)11-18(25)29-14(3)20(26)21-17-9-8-15-6-4-5-7-16(15)10-17/h4-10,14H,11H2,1-3H3,(H,21,26)/t14-/m1/s1