(2-butoxy-2-oxidanylidene-ethyl) 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: (2-butoxy-2-oxo-ethyl) 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid (2-butoxy-2-keto-ethyl) ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-3-4-11-29-19(24)13-30-21(26)16-8-6-5-7-15(16)20(25)14-9-10-17(22-2)18(12-14)23(27)28/h5-10,12,22H,3-4,11,13H2,1-2H3