(5-ethanoyl-2-methoxy-phenyl)methyl 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid (5-acetyl-2-methoxy-benzyl) ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-14(23)15-9-10-19(27-2)16(12-15)13-28-20(24)8-5-11-21-17-6-3-4-7-18(17)22(25)26/h3-4,6-7,9-10,12,21H,5,8,11,13H2,1-2H3