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

Systemtic Name: [2-ethoxy-4-[(E)-2-pyridin-2-ylethenyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [2-ethoxy-4-[(E)-2-(2-pyridyl)vinyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-ethoxy-4-[(E)-2-(2-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-2-pyridin-2-ylethenyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-ethoxy-4-[(E)-2-(2-pyridyl)vinyl]phenyl] ester Formula: C22H17N3O7 MolecularWeight: 435.38628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=CC=CC=N2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=CC=CC=N2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O7/c1-2-31-21-11-15(6-8-17-5-3-4-10-23-17)7-9-20(21)32-22(26)16-12-18(24(27)28)14-19(13-16)25(29)30/h3-14H,2H2,1H3/b8-6+