[2-(benzamidomethyl)-4,6-bis(bromanyl)phenyl] 2-nitrobenzoate

Systemtic Name: [2-(benzamidomethyl)-4,6-bis(bromanyl)phenyl] 2-nitrobenzoate Openeye Name: [2-(benzamidomethyl)-4,6-dibromo-phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-(benzamidomethyl)-4,6-dibromophenyl] ester IUPAC Name: [2-(benzamidomethyl)-4,6-dibromophenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(benzamidomethyl)-4,6-dibromo-phenyl] ester Formula: C21H14Br2N2O5 MolecularWeight: 534.15426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC2=CC(=CC(=C2OC(=O)C3=CC=CC=C3[N+](=O)[O-])Br)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC2=CC(=CC(=C2OC(=O)C3=CC=CC=C3[N+](=O)[O-])Br)Br

InChI

InChI=1S/C21H14Br2N2O5/c22-15-10-14(12-24-20(26)13-6-2-1-3-7-13)19(17(23)11-15)30-21(27)16-8-4-5-9-18(16)25(28)29/h1-11H,12H2,(H,24,26)