phenethyl 3,5-dinitrobenzoate

Systemtic Name: phenethyl 3,5-dinitrobenzoate Openeye Name: phenethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid phenethyl ester IUPAC Name: phenethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid phenethyl ester Formula: C15H12N2O6 MolecularWeight: 316.26558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O6/c18-15(23-7-6-11-4-2-1-3-5-11)12-8-13(16(19)20)10-14(9-12)17(21)22/h1-5,8-10H,6-7H2