O5-tert-butyl O3-prop-2-enyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-tert-butyl O3-prop-2-enyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-allyl O5-tert-butyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-tert-butyl ester O3-prop-2-enyl ester IUPAC Name: 5-O-tert-butyl 3-O-prop-2-enyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-allyl ester O5-tert-butyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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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(=CC=C2)[N+](=O)[O-])C(=O)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-7-11-29-20(25)17-13(2)23-14(3)18(21(26)30-22(4,5)6)19(17)15-9-8-10-16(12-15)24(27)28/h7-10,12,19,23H,1,11H2,2-6H3