diethyl 2-[[(4-chlorophenyl)amino]-(3-nitrophenyl)methyl]propanedioate

Systemtic Name: diethyl 2-[[(4-chlorophenyl)amino]-(3-nitrophenyl)methyl]propanedioate Openeye Name: diethyl 2-[(4-chloroanilino)-(3-nitrophenyl)methyl]propanedioate CAS Name: 2-[(4-chloroanilino)-(3-nitrophenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-chloroanilino)-(3-nitrophenyl)methyl]propanedioate Traditional Name: 2-[(4-chloroanilino)-(3-nitrophenyl)methyl]malonic acid diethyl ester Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O6/c1-3-28-19(24)17(20(25)29-4-2)18(22-15-10-8-14(21)9-11-15)13-6-5-7-16(12-13)23(26)27/h5-12,17-18,22H,3-4H2,1-2H3