4-(3-nitrophenyl)-2,6-bis(propan-2-yloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(3-nitrophenyl)-2,6-bis(propan-2-yloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-bis(isopropoxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(3-nitrophenyl)-2,6-bis(propan-2-yloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(3-nitrophenyl)-2,6-bis(propan-2-yloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-bis(isopropoxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C21H26N2O8 MolecularWeight: 434.43974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=C(C(C(=C(N1)COC(C)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)OCC1=C(C(C(=C(N1)COC(C)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

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