(5-ethanoyl-2-ethoxy-phenyl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-3-29-19-9-6-16(14(2)24)12-17(19)13-30-20(25)10-11-22-21(26)15-4-7-18(8-5-15)23(27)28/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,26)