O5-(3-cyanopropyl) O3-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-(3-cyanopropyl) O3-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(3-cyanopropyl) O3-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(3-cyanopropyl) ester O3-methyl ester IUPAC Name: 5-O-(3-cyanopropyl) 3-O-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(3-cyanopropyl) ester O3-methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-12-16(19(24)28-3)18(14-8-4-5-9-15(14)23(26)27)17(13(2)22-12)20(25)29-11-7-6-10-21/h4-5,8-9,18,22H,6-7,11H2,1-3H3