2,6-dimethyl-4-(3-nitrophenyl)-5-propoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-propoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-propoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[oxo(propoxy)methyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-propoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-propoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)C

Isomeric SMILES

CCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)C

InChI

InChI=1S/C18H20N2O6/c1-4-8-26-18(23)15-11(3)19-10(2)14(17(21)22)16(15)12-6-5-7-13(9-12)20(24)25/h5-7,9,16,19H,4,8H2,1-3H3,(H,21,22)