5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid; 5-methoxycarbonyl-2,4-dimethyl-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid; 5-methoxycarbonyl-2,4-dimethyl-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid; 5-methoxycarbonyl-2,4-dimethyl-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid; 5-methoxycarbonyl-2,4-dimethyl-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid; 5-methoxycarbonyl-2,4-dimethylcyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 5-carbethoxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid; 5-carbomethoxy-2,4-dimethyl-cyclohexa-1,4-diene-1-carboxylic acid Formula: C28H32N2O10 MolecularWeight: 556.56108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)C.CC1=C(CC(=C(C1)C)C(=O)OC)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)C.CC1=C(CC(=C(C1)C)C(=O)OC)C(=O)O

InChI

InChI=1S/C17H18N2O6.C11H14O4/c1-4-25-17(22)14-10(3)18-9(2)13(16(20)21)15(14)11-6-5-7-12(8-11)19(23)24;1-6-4-7(2)9(11(14)15-3)5-8(6)10(12)13/h5-8,15,18H,4H2,1-3H3,(H,20,21);4-5H2,1-3H3,(H,12,13)