(2-butoxy-2-oxidanylidene-ethyl) 4-azanyl-3-nitro-benzoate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 4-azanyl-3-nitro-benzoate Openeye Name: (2-butoxy-2-oxo-ethyl) 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2-butoxy-2-keto-ethyl) ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-2-3-6-20-12(16)8-21-13(17)9-4-5-10(14)11(7-9)15(18)19/h4-5,7H,2-3,6,8,14H2,1H3