ethyl 4-(4-cyano-2-nitro-phenyl)benzoate

Systemtic Name: ethyl 4-(4-cyano-2-nitro-phenyl)benzoate Openeye Name: ethyl 4-(4-cyano-2-nitro-phenyl)benzoate CAS Name: 4-(4-cyano-2-nitrophenyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-cyano-2-nitrophenyl)benzoate Traditional Name: 4-(4-cyano-2-nitro-phenyl)benzoic acid ethyl ester Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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