ditert-butyl 2,6-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl 2,6-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 2,6-dimethyl-4-[5-(2-nitrophenyl)-2-furyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[5-(2-nitrophenyl)-2-furanyl]-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,6-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[5-(2-nitrophenyl)-2-furyl]-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C27H32N2O7 MolecularWeight: 496.55218

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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)C3=CC=CC=C3[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)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C27H32N2O7/c1-15-21(24(30)35-26(3,4)5)23(22(16(2)28-15)25(31)36-27(6,7)8)20-14-13-19(34-20)17-11-9-10-12-18(17)29(32)33/h9-14,23,28H,1-8H3