(4-aminocarbonyl-2-nitro-phenyl)methyl 4-butoxy-3-ethoxy-benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-butoxy-3-ethoxy-benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H24N2O7/c1-3-5-10-29-18-9-8-15(12-19(18)28-4-2)21(25)30-13-16-7-6-14(20(22)24)11-17(16)23(26)27/h6-9,11-12H,3-5,10,13H2,1-2H3,(H2,22,24)