[4-[(E)-2-pyridin-2-ylethenyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [4-[(E)-2-pyridin-2-ylethenyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [4-[(E)-2-(2-pyridyl)vinyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[(E)-2-(2-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-pyridin-2-ylethenyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-[(E)-2-(2-pyridyl)vinyl]phenyl] ester Formula: C20H13N3O6 MolecularWeight: 391.33372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)/C=C/C2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H13N3O6/c24-20(15-11-17(22(25)26)13-18(12-15)23(27)28)29-19-8-5-14(6-9-19)4-7-16-3-1-2-10-21-16/h1-13H/b7-4+