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

Systemtic Name: tert-butyl 2,6-dimethyl-5-nitro-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl 2,6-dimethyl-5-nitro-4-(2-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-(2-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,6-dimethyl-5-nitro-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-(2-pyridyl)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=N2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H21N3O4/c1-10-13(16(21)24-17(3,4)5)14(12-8-6-7-9-18-12)15(20(22)23)11(2)19-10/h6-9,14,19H,1-5H3