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

Systemtic Name: O5-(2-chloroethyl) O3-ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(2-chloroethyl) O3-ethyl 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-(2-chloroethyl) ester O3-ethyl ester IUPAC Name: 5-O-(2-chloroethyl) 3-O-ethyl 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 O5-(2-chloroethyl) ester O3-ethyl ester Formula: C19H21ClN2O6 MolecularWeight: 408.83284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCl)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCl)C)C

InChI

InChI=1S/C19H21ClN2O6/c1-4-27-18(23)15-11(2)21-12(3)16(19(24)28-9-8-20)17(15)13-6-5-7-14(10-13)22(25)26/h5-7,10,17,21H,4,8-9H2,1-3H3