(4,5-dimethoxy-2-methyl-phenyl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6/c1-11-7-16(24-3)17(25-4)9-13(11)10-26-18(21)12-5-6-14(19-2)15(8-12)20(22)23/h5-9,19H,10H2,1-4H3