ditert-butyl 2,6-dimethyl-4-(5-nitrofuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl 2,6-dimethyl-4-(5-nitrofuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(5-nitro-2-furanyl)-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,6-dimethyl-4-(5-nitrofuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC=C(O2)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC=C(O2)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N2O7/c1-11-15(18(24)29-20(3,4)5)17(13-9-10-14(28-13)23(26)27)16(12(2)22-11)19(25)30-21(6,7)8/h9-10,17,22H,1-8H3