[2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H9Br2N3O5 MolecularWeight: 483.06776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)C#N

InChI

InChI=1S/C16H9Br2N3O5/c17-12-5-11(21(24)25)6-13(18)15(12)20-14(22)8-26-16(23)10-3-1-2-9(4-10)7-19/h1-6H,8H2,(H,20,22)