(2-methoxy-5-methyl-phenyl)methyl 2-(methylamino)-5-nitro-benzoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 2-(methylamino)-5-nitro-benzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

InChI

InChI=1S/C17H18N2O5/c1-11-4-7-16(23-3)12(8-11)10-24-17(20)14-9-13(19(21)22)5-6-15(14)18-2/h4-9,18H,10H2,1-3H3