(4-cyanophenyl)methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: (4-cyanophenyl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (4-cyanophenyl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (4-cyanobenzyl) ester Formula: C15H9BrN2O4 MolecularWeight: 361.14696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H9BrN2O4/c16-13-6-5-12(7-14(13)18(20)21)15(19)22-9-11-3-1-10(8-17)2-4-11/h1-7H,9H2