[4-[(E)-3-[(2-chloranyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[(E)-3-[(2-chloranyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C23H13BrClN3O5 MolecularWeight: 526.72342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H13BrClN3O5/c24-17-5-3-15(4-6-17)23(30)33-19-8-1-14(2-9-19)11-16(13-26)22(29)27-21-10-7-18(28(31)32)12-20(21)25/h1-12H,(H,27,29)/b16-11+