(Z)-4-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: (Z)-4-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: (Z)-4-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: (Z)-4-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: (Z)-4-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: (Z)-4-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C29H24N2O6 MolecularWeight: 496.51066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=C(C3=NC4=CC=CC=C4C=C3)C(=O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)/C=C(/C3=NC4=CC=CC=C4C=C3)\C(=O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C29H24N2O6/c1-29(2,3)20-10-12-21(13-11-20)37-26-15-8-18(17-25(26)31(35)36)16-22(27(32)28(33)34)24-14-9-19-6-4-5-7-23(19)30-24/h4-17H,1-3H3,(H,33,34)/b22-16-