ethyl 4-[(2,4-dichlorophenyl)methyl-(5-nitrofuran-2-yl)carbonyl-amino]benzoate

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(5-nitrofuran-2-yl)carbonyl-amino]benzoate Openeye Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(5-nitrofuran-2-carbonyl)amino]benzoate CAS Name: 4-[(2,4-dichlorophenyl)methyl-[(5-nitro-2-furanyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-dichlorophenyl)methyl-(5-nitrofuran-2-carbonyl)amino]benzoate Traditional Name: 4-[(2,4-dichlorobenzyl)-(5-nitro-2-furoyl)amino]benzoic acid ethyl ester Formula: C21H16Cl2N2O6 MolecularWeight: 463.26754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=C(C=C(C=C2)Cl)Cl)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=C(C=C(C=C2)Cl)Cl)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C21H16Cl2N2O6/c1-2-30-21(27)13-4-7-16(8-5-13)24(12-14-3-6-15(22)11-17(14)23)20(26)18-9-10-19(31-18)25(28)29/h3-11H,2,12H2,1H3