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

Systemtic Name: [2-[[2,4-bis(bromanyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(2,4-dibromoanilino)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(2,4-dibromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dibromoanilino)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(2,4-dibromoanilino)-2-keto-ethyl] ester Formula: C16H10Br2N2O3 MolecularWeight: 438.0702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)Br

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)Br

InChI

InChI=1S/C16H10Br2N2O3/c17-12-5-6-14(13(18)7-12)20-15(21)9-23-16(22)11-3-1-10(8-19)2-4-11/h1-7H,9H2,(H,20,21)