O3-(2-cyanoethyl) O5-prop-2-ynyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-(2-cyanoethyl) O5-prop-2-ynyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-(2-cyanoethyl) O5-prop-2-ynyl 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 O3-(2-cyanoethyl) ester O5-prop-2-ynyl ester IUPAC Name: 3-O-(2-cyanoethyl) 5-O-prop-2-ynyl 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-(2-cyanoethyl) ester O5-propargyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6/c1-4-10-29-20(25)17-13(2)23-14(3)18(21(26)30-11-6-9-22)19(17)15-7-5-8-16(12-15)24(27)28/h1,5,7-8,12,19,23H,6,10-11H2,2-3H3