diethyl 2-(4-chloranyl-2-nitro-phenyl)-2-prop-2-enyl-propanedioate

Systemtic Name: diethyl 2-(4-chloranyl-2-nitro-phenyl)-2-prop-2-enyl-propanedioate Openeye Name: diethyl 2-allyl-2-(4-chloro-2-nitro-phenyl)propanedioate CAS Name: 2-(4-chloro-2-nitrophenyl)-2-prop-2-enylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-chloro-2-nitrophenyl)-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-(4-chloro-2-nitro-phenyl)malonic acid diethyl ester Formula: C16H18ClNO6 MolecularWeight: 355.77022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO6/c1-4-9-16(14(19)23-5-2,15(20)24-6-3)12-8-7-11(17)10-13(12)18(21)22/h4,7-8,10H,1,5-6,9H2,2-3H3