dimethyl (E)-2-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]but-2-enedioate CAS Name: (E)-2-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]but-2-enedioate Traditional Name: (E)-2-[(5R)-3-methyl-5-phenyl-2-pyrazolin-1-yl]but-2-enedioic acid dimethyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)C2=CC=CC=C2)C(=CC(=O)OC)C(=O)OC

Isomeric SMILES

CC1=NN([C@H](C1)C2=CC=CC=C2)/C(=C/C(=O)OC)/C(=O)OC

InChI

InChI=1S/C16H18N2O4/c1-11-9-13(12-7-5-4-6-8-12)18(17-11)14(16(20)22-3)10-15(19)21-2/h4-8,10,13H,9H2,1-3H3/b14-10+/t13-/m1/s1