3-(4-hydroxyphenyl)-2,4,6-trimethyl-4-(3-nitrophenyl)-1-prop-2-ynyl-2H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2,4,6-trimethyl-4-(3-nitrophenyl)-1-prop-2-ynyl-2H-pyridine-3,5-dicarboxylic acid Openeye Name: 3-(4-hydroxyphenyl)-2,4,6-trimethyl-4-(3-nitrophenyl)-1-prop-2-ynyl-2H-pyridine-3,5-dicarboxylic acid CAS Name: 3-(4-hydroxyphenyl)-2,4,6-trimethyl-4-(3-nitrophenyl)-1-prop-2-ynyl-2H-pyridine-3,5-dicarboxylic acid IUPAC Name: 3-(4-hydroxyphenyl)-2,4,6-trimethyl-4-(3-nitrophenyl)-1-prop-2-ynyl-2H-pyridine-3,5-dicarboxylic acid Traditional Name: 3-(4-hydroxyphenyl)-2,4,6-trimethyl-4-(3-nitrophenyl)-1-propargyl-2H-pyridine-3,5-dicarboxylic acid Formula: C25H24N2O7 MolecularWeight: 464.46726

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(=C(N1CC#C)C)C(=O)O)(C)C2=CC(=CC=C2)[N+](=O)[O-])(C3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

CC1C(C(C(=C(N1CC#C)C)C(=O)O)(C)C2=CC(=CC=C2)[N+](=O)[O-])(C3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C25H24N2O7/c1-5-13-26-15(2)21(22(29)30)24(4,18-7-6-8-19(14-18)27(33)34)25(16(26)3,23(31)32)17-9-11-20(28)12-10-17/h1,6-12,14,16,28H,13H2,2-4H3,(H,29,30)(H,31,32)