O5-ethyl O4-methyl (4S)-2-(4-nitrophenyl)-3,4-dihydropyrazole-4,5-dicarboxylate

Systemtic Name: O5-ethyl O4-methyl (4S)-2-(4-nitrophenyl)-3,4-dihydropyrazole-4,5-dicarboxylate Openeye Name: O5-ethyl O4-methyl (4S)-2-(4-nitrophenyl)-3,4-dihydropyrazole-4,5-dicarboxylate CAS Name: (4S)-2-(4-nitrophenyl)-3,4-dihydropyrazole-4,5-dicarboxylic acid O5-ethyl ester O4-methyl ester IUPAC Name: 5-O-ethyl 4-O-methyl (4S)-2-(4-nitrophenyl)-3,4-dihydropyrazole-4,5-dicarboxylate Traditional Name: (4S)-1-(4-nitrophenyl)-2-pyrazoline-3,4-dicarboxylic acid O3-ethyl ester O4-methyl ester Formula: C14H15N3O6 MolecularWeight: 321.2854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(CC1C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C[C@@H]1C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O6/c1-3-23-14(19)12-11(13(18)22-2)8-16(15-12)9-4-6-10(7-5-9)17(20)21/h4-7,11H,3,8H2,1-2H3/t11-/m0/s1