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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-13(23)15-5-8-18(28-2)16(11-15)12-29-19(24)9-10-21-20(25)14-3-6-17(7-4-14)22(26)27/h3-8,11H,9-10,12H2,1-2H3,(H,21,25)