(4-aminocarbonyl-2-nitro-phenyl)methyl 4-phenoxybutanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-phenoxybutanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c19-18(22)13-8-9-14(16(11-13)20(23)24)12-26-17(21)7-4-10-25-15-5-2-1-3-6-15/h1-3,5-6,8-9,11H,4,7,10,12H2,(H2,19,22)