O3-methyl O5-(2-nitrooxyethyl) 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-(2-nitrooxyethyl) 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-(2-nitrooxyethyl) 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(2-nitrooxyethyl) ester IUPAC Name: 3-O-methyl 5-O-(2-nitrooxyethyl) 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(2-nitrooxyethyl) ester Formula: C19H20N2O9 MolecularWeight: 420.3701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCO[N+](=O)[O-])C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCO[N+](=O)[O-])C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C19H20N2O9/c1-10-15(18(22)26-3)17(12-4-5-13-14(8-12)29-9-28-13)16(11(2)20-10)19(23)27-6-7-30-21(24)25/h4-5,8,17,20H,6-7,9H2,1-3H3