bis(2-methylpropyl) 4-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(2-methylpropyl) 4-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diisobutyl 4-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-(4-methoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) 4-[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diisobutyl ester Formula: C33H38N4O7 MolecularWeight: 602.67742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CN(N=C2C3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CN(N=C2C3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4)C(=O)OCC(C)C

InChI

InChI=1S/C33H38N4O7/c1-19(2)17-43-32(38)28-21(5)34-22(6)29(33(39)44-18-20(3)4)30(28)25-16-36(24-11-9-8-10-12-24)35-31(25)23-13-14-27(42-7)26(15-23)37(40)41/h8-16,19-20,30,34H,17-18H2,1-7H3