[(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl] ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O6/c1-12(19(25)21-15-9-8-14(24(27)28)10-18(15)29-2)30-20(26)17-11-16(22-23-17)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,25)(H,22,23)/t12-/m0/s1