ethyl 2-(4-azanyl-2-nitro-phenyl)-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-(4-azanyl-2-nitro-phenyl)-3-oxidanylidene-butanoate Openeye Name: ethyl 2-(4-amino-2-nitro-phenyl)-3-oxo-butanoate CAS Name: 2-(4-amino-2-nitrophenyl)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(4-amino-2-nitrophenyl)-3-oxobutanoate Traditional Name: 2-(4-amino-2-nitro-phenyl)-3-keto-butyric acid ethyl ester Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-3-19-12(16)11(7(2)15)9-5-4-8(13)6-10(9)14(17)18/h4-6,11H,3,13H2,1-2H3