phenethyl 3-nitrobenzoate

Systemtic Name: phenethyl 3-nitrobenzoate Openeye Name: phenethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid phenethyl ester IUPAC Name: phenethyl 3-nitrobenzoate Traditional Name: 3-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(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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