ethyl 3-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4,5-dimethoxy-2-methyl-benzyl)-methyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=CC(=C(C=C2C)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=CC(=C(C=C2C)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O7/c1-6-30-21(25)15-8-14(9-17(10-15)23(26)27)20(24)22(3)12-16-11-19(29-5)18(28-4)7-13(16)2/h7-11H,6,12H2,1-5H3