2,6-dimethyl-5-[2-(2-methylpropoxy)ethoxycarbonyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-5-[2-(2-methylpropoxy)ethoxycarbonyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(2-isobutoxyethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-5-[2-(2-methylpropoxy)ethoxy-oxomethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-5-[2-(2-methylpropoxy)ethoxycarbonyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(2-isobutoxyethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCOCC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCOCC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H26N2O7/c1-12(2)11-29-8-9-30-21(26)18-14(4)22-13(3)17(20(24)25)19(18)15-6-5-7-16(10-15)23(27)28/h5-7,10,12,19,22H,8-9,11H2,1-4H3,(H,24,25)