(4S)-4-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one

Systemtic Name: (4S)-4-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: (4S)-4-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: (4S)-4-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: (4S)-4-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: (4S)-4-(homoveratryliminomethyl)-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C21H22N4O5 MolecularWeight: 410.42318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NCCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C=NCCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c1-14-18(13-22-11-10-15-4-9-19(29-2)20(12-15)30-3)21(26)24(23-14)16-5-7-17(8-6-16)25(27)28/h4-9,12-13,18H,10-11H2,1-3H3/t18-/m0/s1