ethyl 4-(5-methoxy-2-nitro-phenyl)-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(5-methoxy-2-nitro-phenyl)-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(5-methoxy-2-nitro-phenyl)-3-oxo-butanoate CAS Name: 4-(5-methoxy-2-nitrophenyl)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(5-methoxy-2-nitrophenyl)-3-oxobutanoate Traditional Name: 3-keto-4-(5-methoxy-2-nitro-phenyl)butyric acid ethyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CC1=C(C=CC(=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(=O)CC1=C(C=CC(=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO6/c1-3-20-13(16)8-10(15)6-9-7-11(19-2)4-5-12(9)14(17)18/h4-5,7H,3,6,8H2,1-2H3