ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxo-butanoate CAS Name: 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate Traditional Name: 3-keto-2,2-bis[2-(4-nitrophenyl)ethyl]butyric acid ethyl ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])(CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])(CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C22H24N2O7/c1-3-31-21(26)22(16(2)25,14-12-17-4-8-19(9-5-17)23(27)28)15-13-18-6-10-20(11-7-18)24(29)30/h4-11H,3,12-15H2,1-2H3