(E)-but-2-ene; [4-(4-chloranylphenoxy)-3-methoxycarbonyl-phenyl]carbamic acid

Systemtic Name: (E)-but-2-ene; [4-(4-chloranylphenoxy)-3-methoxycarbonyl-phenyl]carbamic acid Openeye Name: (E)-but-2-ene; [4-(4-chlorophenoxy)-3-methoxycarbonyl-phenyl]carbamic acid CAS Name: (E)-2-butene; [4-(4-chlorophenoxy)-3-methoxycarbonylphenyl]carbamic acid IUPAC Name: (E)-but-2-ene; [4-(4-chlorophenoxy)-3-methoxycarbonylphenyl]carbamic acid Traditional Name: (E)-but-2-ene; [3-carbomethoxy-4-(4-chlorophenoxy)phenyl]carbamic acid Formula: C34H32Cl2N2O10 MolecularWeight: 699.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC.COC(=O)C1=C(C=CC(=C1)NC(=O)O)OC2=CC=C(C=C2)Cl.COC(=O)C1=C(C=CC(=C1)NC(=O)O)OC2=CC=C(C=C2)Cl

Isomeric SMILES

C/C=C/C.COC(=O)C1=C(C=CC(=C1)NC(=O)O)OC2=CC=C(C=C2)Cl.COC(=O)C1=C(C=CC(=C1)NC(=O)O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/2C15H12ClNO5.C4H8/c2*1-21-14(18)12-8-10(17-15(19)20)4-7-13(12)22-11-5-2-9(16)3-6-11;1-3-4-2/h2*2-8,17H,1H3,(H,19,20);3-4H,1-2H3/b;;4-3+