2,6-dimethyl-4-(3-nitrophenyl)-5-[(E)-4-phenylbut-3-en-2-yl]oxycarbonyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[(E)-4-phenylbut-3-en-2-yl]oxycarbonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-5-[(E)-1-methyl-3-phenyl-allyloxy]carbonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[oxo-[(E)-4-phenylbut-3-en-2-yl]oxymethyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[(E)-4-phenylbut-3-en-2-yl]oxycarbonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2,6-dimethyl-5-[(E)-1-methyl-3-phenyl-allyloxy]carbonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C25H24N2O6 MolecularWeight: 448.46786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C=CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)/C=C/C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H24N2O6/c1-15(12-13-18-8-5-4-6-9-18)33-25(30)22-17(3)26-16(2)21(24(28)29)23(22)19-10-7-11-20(14-19)27(31)32/h4-15,23,26H,1-3H3,(H,28,29)/b13-12+