[4-(4-cyanophenyl)phenyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H19N3O5/c1-30-13-12-25-22-11-8-19(26(28)29)14-21(22)23(27)31-20-9-6-18(7-10-20)17-4-2-16(15-24)3-5-17/h2-11,14,25H,12-13H2,1H3