ethyl (2R)-2-(nitromethyl)-4-(3-nitrophenyl)-4-oxidanylidene-butanoate

Systemtic Name: ethyl (2R)-2-(nitromethyl)-4-(3-nitrophenyl)-4-oxidanylidene-butanoate Openeye Name: ethyl (2R)-2-(nitromethyl)-4-(3-nitrophenyl)-4-oxo-butanoate CAS Name: (2R)-2-(nitromethyl)-4-(3-nitrophenyl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(nitromethyl)-4-(3-nitrophenyl)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(nitromethyl)-4-(3-nitrophenyl)butyric acid ethyl ester Formula: C13H14N2O7 MolecularWeight: 310.25946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](CC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O7/c1-2-22-13(17)10(8-14(18)19)7-12(16)9-4-3-5-11(6-9)15(20)21/h3-6,10H,2,7-8H2,1H3/t10-/m1/s1