ethanamine; O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-6-(sulfonylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ethanamine; O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-6-(sulfonylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ethanamine; O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-6-(sulfonylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: ethanamine; 2-methyl-4-(3-nitrophenyl)-6-(sulfonylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: ethanamine; 5-O-ethyl 3-O-methyl 2-methyl-4-(3-nitrophenyl)-6-(sulfonylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: ethylamine; 2-methyl-4-(3-nitrophenyl)-6-(sulfonylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C20H25N3O8S MolecularWeight: 467.4928

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Descriptors Computed from Structure

Canonical SMILES:

CCN.CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C=S(=O)=O

Isomeric SMILES

CCN.CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C=S(=O)=O

InChI

InChI=1S/C18H18N2O8S.C2H7N/c1-4-28-18(22)16-13(9-29(25)26)19-10(2)14(17(21)27-3)15(16)11-6-5-7-12(8-11)20(23)24;1-2-3/h5-9,15,19H,4H2,1-3H3;2-3H2,1H3