[4-[2-cyano-3-[(2-fluoranyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranylbenzoate

Systemtic Name: [4-[2-cyano-3-[(2-fluoranyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranylbenzoate Openeye Name: [4-[2-cyano-3-(2-fluoro-5-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[2-cyano-3-(2-fluoro-5-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[2-cyano-3-(2-fluoro-5-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[2-cyano-3-(2-fluoro-5-nitro-anilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C23H13ClFN3O5 MolecularWeight: 465.817823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H13ClFN3O5/c24-17-5-3-15(4-6-17)23(30)33-19-8-1-14(2-9-19)11-16(13-26)22(29)27-21-12-18(28(31)32)7-10-20(21)25/h1-12H,(H,27,29)