1-(4-bromanylbutoxy)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: 1-(4-bromanylbutoxy)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: 1-(4-bromobutoxy)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(4-bromobutoxy)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate IUPAC Name: 1-(4-bromobutoxy)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(4-bromobutoxy)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Formula: C19H19BrN2O7-2 MolecularWeight: 467.26736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1OCCCCBr)C)C(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1OCCCCBr)C)C(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C19H21BrN2O7/c1-11-15(18(23)24)17(13-6-5-7-14(10-13)22(27)28)16(19(25)26)12(2)21(11)29-9-4-3-8-20/h5-7,10,17H,3-4,8-9H2,1-2H3,(H,23,24)(H,25,26)/p-2