ethyl 2-(4-cyanophenyl)-5-nitro-benzoate

Systemtic Name: ethyl 2-(4-cyanophenyl)-5-nitro-benzoate Openeye Name: ethyl 2-(4-cyanophenyl)-5-nitro-benzoate CAS Name: 2-(4-cyanophenyl)-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-(4-cyanophenyl)-5-nitrobenzoate Traditional Name: 2-(4-cyanophenyl)-5-nitro-benzoic acid ethyl ester Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H12N2O4/c1-2-22-16(19)15-9-13(18(20)21)7-8-14(15)12-5-3-11(10-17)4-6-12/h3-9H,2H2,1H3