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

Systemtic Name: octyl 2,6-dimethyl-5-nitro-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=N2)[N+](=O)[O-])C)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=N2)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H29N3O4/c1-4-5-6-7-8-11-14-28-21(25)18-15(2)23-16(3)20(24(26)27)19(18)17-12-9-10-13-22-17/h9-10,12-13,19,23H,4-8,11,14H2,1-3H3