6-(diethoxymethyl)-5-ethoxycarbonyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-(diethoxymethyl)-5-ethoxycarbonyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-(diethoxymethyl)-5-ethoxycarbonyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 6-(diethoxymethyl)-5-ethoxycarbonyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-(diethoxymethyl)-5-ethoxycarbonyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-carbethoxy-6-(diethoxymethyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C21H26N2O8 MolecularWeight: 434.43974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)OCC

Isomeric SMILES

CCOC(C1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)OCC

InChI

InChI=1S/C21H26N2O8/c1-5-29-20(26)17-16(13-9-8-10-14(11-13)23(27)28)15(19(24)25)12(4)22-18(17)21(30-6-2)31-7-3/h8-11,16,21-22H,5-7H2,1-4H3,(H,24,25)