5-(2-cyanoethoxycarbonyl)-6-ethyl-2-(methoxymethyl)-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid

Systemtic Name: 5-(2-cyanoethoxycarbonyl)-6-ethyl-2-(methoxymethyl)-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid Openeye Name: 5-(2-cyanoethoxycarbonyl)-6-ethyl-2-(methoxymethyl)-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid CAS Name: 5-[2-cyanoethoxy(oxo)methyl]-6-ethyl-2-(methoxymethyl)-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid IUPAC Name: 5-(2-cyanoethoxycarbonyl)-6-ethyl-2-(methoxymethyl)-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid Traditional Name: 5-(2-cyanoethoxycarbonyl)-6-ethyl-2-(methoxymethyl)-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])COC)C(=O)O)C(=O)OCCC#N

Isomeric SMILES

CCC1=C(CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])COC)C(=O)O)C(=O)OCCC#N

InChI

InChI=1S/C20H21N3O7/c1-3-17-16(20(26)30-10-4-9-21)11-15(19(24)25)18(12-29-2)22(17)13-5-7-14(8-6-13)23(27)28/h5-8H,3-4,10-12H2,1-2H3,(H,24,25)