phenethyl 4-nitrobenzoate

Systemtic Name: phenethyl 4-nitrobenzoate Openeye Name: phenethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid phenethyl ester IUPAC Name: phenethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid phenethyl ester Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO4/c17-15(13-6-8-14(9-7-13)16(18)19)20-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2