4-(4-bromanyl-3-nitro-phenyl)-2,6-diethyl-1-propan-2-yl-4H-pyridine-3-carboxylic acid

Systemtic Name: 4-(4-bromanyl-3-nitro-phenyl)-2,6-diethyl-1-propan-2-yl-4H-pyridine-3-carboxylic acid Openeye Name: 4-(4-bromo-3-nitro-phenyl)-2,6-diethyl-1-isopropyl-4H-pyridine-3-carboxylic acid CAS Name: 4-(4-bromo-3-nitrophenyl)-2,6-diethyl-1-propan-2-yl-4H-pyridine-3-carboxylic acid IUPAC Name: 4-(4-bromo-3-nitrophenyl)-2,6-diethyl-1-propan-2-yl-4H-pyridine-3-carboxylic acid Traditional Name: 4-(4-bromo-3-nitro-phenyl)-2,6-diethyl-1-isopropyl-4H-pyridine-3-carboxylic acid Formula: C19H23BrN2O4 MolecularWeight: 423.30092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(C(=C(N1C(C)C)CC)C(=O)O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(C(=C(N1C(C)C)CC)C(=O)O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H23BrN2O4/c1-5-13-10-14(12-7-8-15(20)17(9-12)22(25)26)18(19(23)24)16(6-2)21(13)11(3)4/h7-11,14H,5-6H2,1-4H3,(H,23,24)