(2-nitrophenyl)methyl 4-ethoxy-3-nitro-benzoate

Systemtic Name: (2-nitrophenyl)methyl 4-ethoxy-3-nitro-benzoate Openeye Name: (2-nitrophenyl)methyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid (2-nitrobenzyl) ester Formula: C16H14N2O7 MolecularWeight: 346.29156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O7/c1-2-24-15-8-7-11(9-14(15)18(22)23)16(19)25-10-12-5-3-4-6-13(12)17(20)21/h3-9H,2,10H2,1H3