[4-(4-cyanophenyl)phenyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C24H19N3O5 MolecularWeight: 429.42476

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H19N3O5/c25-16-17-1-3-18(4-2-17)19-5-8-21(9-6-19)32-24(28)20-7-10-22(23(15-20)27(29)30)26-11-13-31-14-12-26/h1-10,15H,11-14H2