[4-(2-cyano-2-phenyl-ethenyl)-2-methoxy-phenyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [4-(2-cyano-2-phenyl-ethenyl)-2-methoxy-phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [4-(2-cyano-2-phenyl-vinyl)-2-methoxy-phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-(2-cyano-2-phenylethenyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2-cyano-2-phenylethenyl)-2-methoxyphenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-(2-cyano-2-phenyl-vinyl)-2-methoxy-phenyl] ester Formula: C23H15ClN2O5 MolecularWeight: 434.8286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H15ClN2O5/c1-30-22-12-15(11-18(14-25)16-5-3-2-4-6-16)7-10-21(22)31-23(27)17-8-9-19(24)20(13-17)26(28)29/h2-13H,1H3