(phenylmethyl) 3-(3,5-dinitrophenyl)-2-oxidanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-(3,5-dinitrophenyl)-2-oxidanylidene-propanoate Openeye Name: benzyl 3-(3,5-dinitrophenyl)-2-oxo-propanoate CAS Name: 3-(3,5-dinitrophenyl)-2-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3,5-dinitrophenyl)-2-oxopropanoate Traditional Name: 3-(3,5-dinitrophenyl)-2-keto-propionic acid benzyl ester Formula: C16H12N2O7 MolecularWeight: 344.27568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=O)CC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(=O)CC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O7/c19-15(16(20)25-10-11-4-2-1-3-5-11)8-12-6-13(17(21)22)9-14(7-12)18(23)24/h1-7,9H,8,10H2