4-cyano-4-(2-nitrophenyl)-3-phenyl-butanoate

Systemtic Name: 4-cyano-4-(2-nitrophenyl)-3-phenyl-butanoate Openeye Name: 4-cyano-4-(2-nitrophenyl)-3-phenyl-butanoate CAS Name: 4-cyano-4-(2-nitrophenyl)-3-phenylbutanoate IUPAC Name: 4-cyano-4-(2-nitrophenyl)-3-phenylbutanoate Traditional Name: 4-cyano-4-(2-nitrophenyl)-3-phenyl-butyrate Formula: C17H13N2O4- MolecularWeight: 309.29612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4/c18-11-15(13-8-4-5-9-16(13)19(22)23)14(10-17(20)21)12-6-2-1-3-7-12/h1-9,14-15H,10H2,(H,20,21)/p-1