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

Systemtic Name: O3-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester O1-methyl ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7/c1-22(2)16-6-4-13(5-7-16)11-21-18(24)12-30-20(26)15-8-14(19(25)29-3)9-17(10-15)23(27)28/h4-10H,11-12H2,1-3H3,(H,21,24)