(1,4-diphenyl-4-prop-2-enoxy-but-2-ynyl) 3,5-dinitrobenzoate

Systemtic Name: (1,4-diphenyl-4-prop-2-enoxy-but-2-ynyl) 3,5-dinitrobenzoate Openeye Name: (4-allyloxy-1,4-diphenyl-but-2-ynyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (1,4-diphenyl-4-prop-2-enoxybut-2-ynyl) ester IUPAC Name: (1,4-diphenyl-4-prop-2-enoxybut-2-ynyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-allyloxy-1,4-diphenyl-but-2-ynyl) ester Formula: C26H20N2O7 MolecularWeight: 472.4462

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(C#CC(C1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C=CCOC(C#CC(C1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C26H20N2O7/c1-2-15-34-24(19-9-5-3-6-10-19)13-14-25(20-11-7-4-8-12-20)35-26(29)21-16-22(27(30)31)18-23(17-21)28(32)33/h2-12,16-18,24-25H,1,15H2