4-[2-(5-chloranylpentyl)furan-3-yl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-[2-(5-chloranylpentyl)furan-3-yl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-[2-(5-chloropentyl)-3-furyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-[2-(5-chloropentyl)-3-furanyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-[2-(5-chloropentyl)furan-3-yl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-[2-(5-chloropentyl)-3-furyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Formula: C17H21ClN2O5 MolecularWeight: 368.81204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=C(OC=C2)CCCCCCl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=C(OC=C2)CCCCCCl)C(=O)O

InChI

InChI=1S/C17H21ClN2O5/c1-10-14(17(21)22)15(16(20(23)24)11(2)19-10)12-7-9-25-13(12)6-4-3-5-8-18/h7,9,15,19H,3-6,8H2,1-2H3,(H,21,22)