[(E)-but-2-enyl] 2-chloranyl-3-methyl-4-(4-nitrophenoxy)benzoate

Systemtic Name: [(E)-but-2-enyl] 2-chloranyl-3-methyl-4-(4-nitrophenoxy)benzoate Openeye Name: [(E)-but-2-enyl] 2-chloro-3-methyl-4-(4-nitrophenoxy)benzoate CAS Name: 2-chloro-3-methyl-4-(4-nitrophenoxy)benzoic acid [(E)-but-2-enyl] ester IUPAC Name: [(E)-but-2-enyl] 2-chloro-3-methyl-4-(4-nitrophenoxy)benzoate Traditional Name: 2-chloro-3-methyl-4-(4-nitrophenoxy)benzoic acid [(E)-but-2-enyl] ester Formula: C18H16ClNO5 MolecularWeight: 361.77634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCOC(=O)C1=C(C(=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-])C)Cl

Isomeric SMILES

C/C=C/COC(=O)C1=C(C(=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C18H16ClNO5/c1-3-4-11-24-18(21)15-9-10-16(12(2)17(15)19)25-14-7-5-13(6-8-14)20(22)23/h3-10H,11H2,1-2H3/b4-3+