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

Systemtic Name: methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxo-butanoate CAS Name: 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate Traditional Name: 3-keto-2,2-bis[2-(4-nitrophenyl)ethyl]butyric acid methyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-15(24)21(20(25)30-2,13-11-16-3-7-18(8-4-16)22(26)27)14-12-17-5-9-19(10-6-17)23(28)29/h3-10H,11-14H2,1-2H3