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

Systemtic Name: 2-methylpropyl 2,6-dimethyl-5-nitro-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl 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=NC=C2)C(=O)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-10(2)9-24-17(21)14-11(3)19-12(4)16(20(22)23)15(14)13-5-7-18-8-6-13/h5-8,10,15,19H,9H2,1-4H3