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

Systemtic Name: [2-methoxy-4-[(E)-2-pyridin-2-ylethenyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [2-methoxy-4-[(E)-2-(2-pyridyl)vinyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-methoxy-4-[(E)-2-(2-pyridinyl)ethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-pyridin-2-ylethenyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-methoxy-4-[(E)-2-(2-pyridyl)vinyl]phenyl] ester Formula: C21H15N3O7 MolecularWeight: 421.3597

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=CC=CC=N2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=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/C21H15N3O7/c1-30-20-10-14(5-7-16-4-2-3-9-22-16)6-8-19(20)31-21(25)15-11-17(23(26)27)13-18(12-15)24(28)29/h2-13H,1H3/b7-5+