4-[2-(4-bromanylbutoxy)-5-nitro-phenyl]-6-methoxycarbonyl-1,2,5-trimethyl-4H-pyridine-3-carboxylic acid

Systemtic Name: 4-[2-(4-bromanylbutoxy)-5-nitro-phenyl]-6-methoxycarbonyl-1,2,5-trimethyl-4H-pyridine-3-carboxylic acid Openeye Name: 4-[2-(4-bromobutoxy)-5-nitro-phenyl]-6-methoxycarbonyl-1,2,5-trimethyl-4H-pyridine-3-carboxylic acid CAS Name: 4-[2-(4-bromobutoxy)-5-nitrophenyl]-6-methoxycarbonyl-1,2,5-trimethyl-4H-pyridine-3-carboxylic acid IUPAC Name: 4-[2-(4-bromobutoxy)-5-nitrophenyl]-6-methoxycarbonyl-1,2,5-trimethyl-4H-pyridine-3-carboxylic acid Traditional Name: 4-[2-(4-bromobutoxy)-5-nitro-phenyl]-6-carbomethoxy-1,2,5-trimethyl-4H-pyridine-3-carboxylic acid Formula: C21H25BrN2O7 MolecularWeight: 497.3364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C(C1C2=C(C=CC(=C2)[N+](=O)[O-])OCCCCBr)C(=O)O)C)C)C(=O)OC

Isomeric SMILES

CC1=C(N(C(=C(C1C2=C(C=CC(=C2)[N+](=O)[O-])OCCCCBr)C(=O)O)C)C)C(=O)OC

InChI

InChI=1S/C21H25BrN2O7/c1-12-17(18(20(25)26)13(2)23(3)19(12)21(27)30-4)15-11-14(24(28)29)7-8-16(15)31-10-6-5-9-22/h7-8,11,17H,5-6,9-10H2,1-4H3,(H,25,26)