cyclopentyl 2,6-dimethyl-5-nitro-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: cyclopentyl 2,6-dimethyl-5-nitro-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: cyclopentyl 2,6-dimethyl-5-nitro-4-(4-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 2,6-dimethyl-5-nitro-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-(4-pyridyl)-1,4-dihydropyridine-3-carboxylic acid cyclopentyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=NC=C2)C(=O)OC3CCCC3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=NC=C2)C(=O)OC3CCCC3

InChI

InChI=1S/C18H21N3O4/c1-11-15(18(22)25-14-5-3-4-6-14)16(13-7-9-19-10-8-13)17(21(23)24)12(2)20-11/h7-10,14,16,20H,3-6H2,1-2H3