(5-methyl-2-nitro-phenyl) 3-bromanylbenzoate

Systemtic Name: (5-methyl-2-nitro-phenyl) 3-bromanylbenzoate Openeye Name: (5-methyl-2-nitro-phenyl) 3-bromobenzoate CAS Name: 3-bromobenzoic acid (5-methyl-2-nitrophenyl) ester IUPAC Name: (5-methyl-2-nitrophenyl) 3-bromobenzoate Traditional Name: 3-bromobenzoic acid (5-methyl-2-nitro-phenyl) ester Formula: C14H10BrNO4 MolecularWeight: 336.1375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrNO4/c1-9-5-6-12(16(18)19)13(7-9)20-14(17)10-3-2-4-11(15)8-10/h2-8H,1H3