(2-nitrophenyl)methyl 2-methyl-3,5-dinitro-benzoate

Systemtic Name: (2-nitrophenyl)methyl 2-methyl-3,5-dinitro-benzoate Openeye Name: (2-nitrophenyl)methyl 2-methyl-3,5-dinitro-benzoate CAS Name: 2-methyl-3,5-dinitrobenzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-methyl-3,5-dinitrobenzoate Traditional Name: 2-methyl-3,5-dinitro-benzoic acid (2-nitrobenzyl) ester Formula: C15H11N3O8 MolecularWeight: 361.26314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)OCC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)OCC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O8/c1-9-12(6-11(16(20)21)7-14(9)18(24)25)15(19)26-8-10-4-2-3-5-13(10)17(22)23/h2-7H,8H2,1H3