O3-[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[[4-(dimethylamino)benzyl]-methyl-amino]-2-keto-ethyl] ester O1-methyl ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7/c1-22(2)17-7-5-14(6-8-17)12-23(3)19(25)13-31-21(27)16-9-15(20(26)30-4)10-18(11-16)24(28)29/h5-11H,12-13H2,1-4H3