(4,5-dimethoxy-2-methyl-phenyl)methyl 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H24N2O6/c1-14-11-18(26-2)19(27-3)12-15(14)13-28-20(23)9-6-10-21-16-7-4-5-8-17(16)22(24)25/h4-5,7-8,11-12,21H,6,9-10,13H2,1-3H3