5-(2-methanoyloxypropan-2-yl)-2,6-dimethyl-4-[3-nitro-2-(3-oxidanylpropoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-(2-methanoyloxypropan-2-yl)-2,6-dimethyl-4-[3-nitro-2-(3-oxidanylpropoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(1-formyloxy-1-methyl-ethyl)-4-[2-(3-hydroxypropoxy)-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-(2-formyloxypropan-2-yl)-4-[2-(3-hydroxypropoxy)-3-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-(2-formyloxypropan-2-yl)-4-[2-(3-hydroxypropoxy)-3-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(1-formyloxy-1-methyl-ethyl)-4-[2-(3-hydroxypropoxy)-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C21H26N2O8 MolecularWeight: 434.43974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O8/c1-12-16(20(26)27)17(18(13(2)22-12)21(3,4)31-11-25)14-7-5-8-15(23(28)29)19(14)30-10-6-9-24/h5,7-8,11,17,22,24H,6,9-10H2,1-4H3,(H,26,27)