(2-methoxy-5-methyl-phenyl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5/c1-12-5-8-17(24-4)14(9-12)11-25-18(21)13-6-7-15(19(2)3)16(10-13)20(22)23/h5-10H,11H2,1-4H3