2-pyridin-2-ylethyl 4-nitrobenzoate

Systemtic Name: 2-pyridin-2-ylethyl 4-nitrobenzoate Openeye Name: 2-(2-pyridyl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(2-pyridinyl)ethyl ester IUPAC Name: 2-pyridin-2-ylethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(2-pyridyl)ethyl ester Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O4/c17-14(11-4-6-13(7-5-11)16(18)19)20-10-8-12-3-1-2-9-15-12/h1-7,9H,8,10H2