4-[3,5-bis(chloranyl)phenyl]-4-cyano-3-(3-nitrophenyl)butanoate

Systemtic Name: 4-[3,5-bis(chloranyl)phenyl]-4-cyano-3-(3-nitrophenyl)butanoate Openeye Name: 4-cyano-4-(3,5-dichlorophenyl)-3-(3-nitrophenyl)butanoate CAS Name: 4-cyano-4-(3,5-dichlorophenyl)-3-(3-nitrophenyl)butanoate IUPAC Name: 4-cyano-4-(3,5-dichlorophenyl)-3-(3-nitrophenyl)butanoate Traditional Name: 4-cyano-4-(3,5-dichlorophenyl)-3-(3-nitrophenyl)butyrate Formula: C17H11Cl2N2O4- MolecularWeight: 378.18624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12Cl2N2O4/c18-12-4-11(5-13(19)7-12)16(9-20)15(8-17(22)23)10-2-1-3-14(6-10)21(24)25/h1-7,15-16H,8H2,(H,22,23)/p-1