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

Systemtic Name: O3-[2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[4-(dimethylcarbamoyl)anilino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[4-[dimethylamino(oxo)methyl]anilino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[4-(dimethylcarbamoyl)anilino]-2-keto-ethyl] ester O1-ethyl ester Formula: C21H21N3O8 MolecularWeight: 443.40674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O8/c1-4-31-20(27)14-9-15(11-17(10-14)24(29)30)21(28)32-12-18(25)22-16-7-5-13(6-8-16)19(26)23(2)3/h5-11H,4,12H2,1-3H3,(H,22,25)