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

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (4-nitrophenyl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-nitrobenzyl) ester Formula: C15H12N2O6 MolecularWeight: 316.26558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O6/c1-10-8-12(4-7-14(10)17(21)22)15(18)23-9-11-2-5-13(6-3-11)16(19)20/h2-8H,9H2,1H3