[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H10BrN3O5 MolecularWeight: 404.1717

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Br

InChI

InChI=1S/C16H10BrN3O5/c17-13-4-2-1-3-12(13)16(22)25-9-15(21)19-14-6-5-11(20(23)24)7-10(14)8-18/h1-7H,9H2,(H,19,21)