[2-(benzamidomethyl)-4,6-bis(bromanyl)phenyl] 3-nitrobenzoate

Systemtic Name: [2-(benzamidomethyl)-4,6-bis(bromanyl)phenyl] 3-nitrobenzoate Openeye Name: [2-(benzamidomethyl)-4,6-dibromo-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(benzamidomethyl)-4,6-dibromophenyl] ester IUPAC Name: [2-(benzamidomethyl)-4,6-dibromophenyl] 3-nitrobenzoate Traditional Name: 3-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/c22-16-9-15(12-24-20(26)13-5-2-1-3-6-13)19(18(23)11-16)30-21(27)14-7-4-8-17(10-14)25(28)29/h1-11H,12H2,(H,24,26)