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

Systemtic Name: O3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(2,4-dichlorobenzyl)amino]-2-keto-ethyl] ester O1-ethyl ester Formula: C19H16Cl2N2O7 MolecularWeight: 455.24554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16Cl2N2O7/c1-2-29-18(25)12-5-13(7-15(6-12)23(27)28)19(26)30-10-17(24)22-9-11-3-4-14(20)8-16(11)21/h3-8H,2,9-10H2,1H3,(H,22,24)