5-methoxycarbonyl-6-methyl-4-(4-nitrophenyl)-2-propyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-methoxycarbonyl-6-methyl-4-(4-nitrophenyl)-2-propyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-methoxycarbonyl-6-methyl-4-(4-nitrophenyl)-2-propyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-methoxycarbonyl-6-methyl-4-(4-nitrophenyl)-2-propyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-methoxycarbonyl-6-methyl-4-(4-nitrophenyl)-2-propyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-carbomethoxy-6-methyl-4-(4-nitrophenyl)-2-propyl-1,4-dihydropyridine-3-carboxylic acid Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H20N2O6/c1-4-5-13-16(17(21)22)15(14(10(2)19-13)18(23)26-3)11-6-8-12(9-7-11)20(24)25/h6-9,15,19H,4-5H2,1-3H3,(H,21,22)